5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid

C19H24N2O4S — CID 99984343

IUPAC5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid
SMILESCCC[C@H](C)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)O
InChIInChI=1S/C19H24N2O4S/c1-3-7-14(2)21-18-11-10-16(12-17(18)19(22)23)26(24,25)20-13-15-8-5-4-6-9-15/h4-6,8-12,14,20-21H,3,7,13H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyWFFZIRXFFUVUPS-AWEZNQCLSA-N
MW376.48 g/mol
LogP3.46
Rot. Bonds9

About 5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid

5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid (PubChem CID 99984343) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid
PubChem CID99984343
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid
SMILESCCC[C@H](C)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)O
InChIInChI=1S/C19H24N2O4S/c1-3-7-14(2)21-18-11-10-16(12-17(18)19(22)23)26(24,25)20-13-15-8-5-4-6-9-15/h4-6,8-12,14,20-21H,3,7,13H2,1-2H3,(H,22,23)/t14-/m0/s1
InChIKeyWFFZIRXFFUVUPS-AWEZNQCLSA-N
XLogP3.46
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(benzylsulfamoyl)-2-[[(2R)-butan-2-yl]amino]benzoic acid
CID 99984205
2-(pentan-2-ylamino)-5-(pentylsulfamoyl)benzoic acid
CID 132653822
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397
2-[[(2S)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293868
2-[[(2R)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293867
2-[[(2S)-butan-2-yl]amino]-5-(propylsulfamoyl)benzoic acid
CID 99981585
5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid
CID 99987086
2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid
CID 99982018
5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99985657
5-(butylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 99981853
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid
CID 132659590

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid?
The IUPAC name of 5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid (CID 99984343) is 5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid?
The canonical SMILES for 5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid is CCC[C@H](C)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)O.
What is the InChIKey of 5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid?
The InChIKey is WFFZIRXFFUVUPS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-7-14(2)21-18-11-10-16(12-17(18)19(22)23)26(24,25)20-13-15-8-5-4-6-9-15/h4-6,8-12,14,20-21H,3,7,13H2,1-2H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid?
5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid has a molecular weight of 376.48 g/mol, XLogP of 3.46, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid is sourced from PubChem (CID 99984343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).