2-Butylbenzenesulfonamide

Details

• Internal ID: a1ff23f2-d769-4bdc-bedc-eca47e218b6b
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzenesulfonamides
• IUPAC Name: 2-butylbenzenesulfonamide
• SMILES (Canonical): CCCCC1=CC=CC=C1S(=O)(=O)N
• SMILES (Isomeric): CCCCC1=CC=CC=C1S(=O)(=O)N
• InChI: InChI=1S/C10H15NO2S/c1-2-3-6-9-7-4-5-8-10(9)14(11,12)13/h4-5,7-8H,2-3,6H2,1H3,(H2,11,12,13)
• InChI Key: XIZNSFKZKZTGNG-UHFFFAOYSA-N
• Popularity: 14 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₅NO₂S
• Molecular Weight: 213.30 g/mol
• Exact Mass: 213.08234989 g/mol
• Topological Polar Surface Area (TPSA): 68.50 Ų
• XlogP: 2.40

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	98.10%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.92%	95.56%
CHEMBL3594	Q16790	Carbonic anhydrase IX	94.49%	99.23%
CHEMBL3401	O75469	Pregnane X receptor	93.60%	94.73%
CHEMBL205	P00918	Carbonic anhydrase II	91.50%	98.44%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.60%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.58%	91.11%
CHEMBL1907	P15144	Aminopeptidase N	85.05%	93.31%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.79%	97.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.91%	86.33%
CHEMBL230	P35354	Cyclooxygenase-2	83.63%	89.63%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	82.81%	92.08%
CHEMBL255	P29275	Adenosine A2b receptor	82.80%	98.59%
CHEMBL3242	O43570	Carbonic anhydrase XII	82.20%	97.37%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.33%	96.00%

Plants that contains it

• Angelica sinensis
• Prunus africana

Cross-Links

• PubChem: 14149637
• LOTUS: LTS0055526
• wikiData: Q105328808