Sulfacetamide

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	4922b0da-375e-439c-a425-5b24f0d7cf41
Taxonomy	Benzenoids > Benzene and substituted derivatives > Benzenesulfonamides > Aminobenzenesulfonamides
IUPAC Name	N-(4-aminophenyl)sulfonylacetamide
SMILES (Canonical)	CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
SMILES (Isomeric)	CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
InChI	InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
InChI Key	SKIVFJLNDNKQPD-UHFFFAOYSA-N
Popularity	1,455 references in papers

Physical and Chemical Properties

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Molecular Formula	C₈H₁₀N₂O₃S
Molecular Weight	214.24 g/mol
Exact Mass	214.04121336 g/mol
Topological Polar Surface Area (TPSA)	97.60 Å²
XlogP	-1.00
Atomic LogP (AlogP)	0.09
H-Bond Acceptor	4
H-Bond Donor	2
Rotatable Bonds	2

Synonyms

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144-80-9

Sulphacetamide

Acetosulfamine

N-((4-Aminophenyl)sulfonyl)acetamide

N-Acetylsulfanilamide

N-Sulfanilylacetamide

Acetosulfamin

Albucid

Urosulfon

N-Sulphanilylacetamide

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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3D Structure

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ADMET Properties (via admetSAR 2)

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Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.9357	93.57%
Caco-2	+	0.5502	55.02%
Blood Brain Barrier	+	0.8000	80.00%
Human oral bioavailability	+	0.8286	82.86%
Subcellular localzation	Mitochondria	0.6595	65.95%
OATP2B1 inhibitior	-	1.0000	100.00%
OATP1B1 inhibitior	+	0.9743	97.43%
OATP1B3 inhibitior	+	0.9495	94.95%
MATE1 inhibitior	+	0.6800	68.00%
OCT2 inhibitior	-	1.0000	100.00%
BSEP inhibitior	-	0.9317	93.17%
P-glycoprotein inhibitior	-	0.9847	98.47%
P-glycoprotein substrate	-	0.9444	94.44%
CYP3A4 substrate	-	0.8221	82.21%
CYP2C9 substrate	+	0.8074	80.74%
CYP2D6 substrate	-	0.7901	79.01%
CYP3A4 inhibition	-	0.9552	95.52%
CYP2C9 inhibition	-	0.9595	95.95%
CYP2C19 inhibition	-	0.9546	95.46%
CYP2D6 inhibition	-	0.9312	93.12%
CYP1A2 inhibition	-	0.9609	96.09%
CYP2C8 inhibition	-	0.9964	99.64%
CYP inhibitory promiscuity	-	0.8371	83.71%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.6342	63.42%
Carcinogenicity (trinary)	Non-required	0.5176	51.76%
Eye corrosion	-	0.9706	97.06%
Eye irritation	+	0.6471	64.71%
Skin irritation	-	0.7137	71.37%
Skin corrosion	-	0.9577	95.77%
Ames mutagenesis	-	0.9200	92.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.8489	84.89%
Micronuclear	+	0.9300	93.00%
Hepatotoxicity	+	0.7125	71.25%
skin sensitisation	-	0.9442	94.42%
Respiratory toxicity	+	0.8000	80.00%
Reproductive toxicity	-	0.8333	83.33%
Mitochondrial toxicity	+	0.7500	75.00%
Nephrotoxicity	+	0.4564	45.64%
Acute Oral Toxicity (c)	III	0.8236	82.36%
Estrogen receptor binding	-	0.9093	90.93%
Androgen receptor binding	-	0.8730	87.30%
Thyroid receptor binding	-	0.8628	86.28%
Glucocorticoid receptor binding	-	0.9100	91.00%
Aromatase binding	-	0.8018	80.18%
PPAR gamma	-	0.8658	86.58%
Honey bee toxicity	-	0.9755	97.55%
Biodegradation	-	0.8250	82.50%
Crustacea aquatic toxicity	-	0.7700	77.00%
Fish aquatic toxicity	+	0.9447	94.47%

Targets

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Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1963	P16473	Thyroid stimulating hormone receptor	631 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.17%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.62%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	90.33%	94.73%
CHEMBL1287628	Q9Y5S8	NADPH oxidase 1	88.24%	95.48%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	87.39%	96.90%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.51%	96.00%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	84.35%	83.10%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.82%	94.45%
CHEMBL2581	P07339	Cathepsin D	82.79%	98.95%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	82.26%	94.33%
CHEMBL4040	P28482	MAP kinase ERK2	81.58%	83.82%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem	5320
LOTUS	LTS0158880
wikiData	Q2022983

Sulfacetamide

Table of Contents

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties (via admetSAR 2)

Targets

Proven Targets:

Predicted Targets (via Super-PRED):

Plants that contains it

Cross-Links