3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid

C19H22N2O4S — CID 99978998

IUPAC3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid
SMILESO=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H22N2O4S/c22-19(23)15-10-11-17(21-16-8-4-5-9-16)18(12-15)26(24,25)20-13-14-6-2-1-3-7-14/h1-3,6-7,10-12,16,20-21H,4-5,8-9,13H2,(H,22,23)
InChIKeyCXDORMJDMGROHG-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.22
Rot. Bonds7

About 3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid

3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid (PubChem CID 99978998) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid
PubChem CID99978998
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid
SMILESO=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H22N2O4S/c22-19(23)15-10-11-17(21-16-8-4-5-9-16)18(12-15)26(24,25)20-13-14-6-2-1-3-7-14/h1-3,6-7,10-12,16,20-21H,4-5,8-9,13H2,(H,22,23)
InChIKeyCXDORMJDMGROHG-UHFFFAOYSA-N
XLogP3.22
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
CID 99979327
3-(butylsulfamoyl)-4-(cyclohexylamino)benzoic acid
CID 99977589
4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977473
5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
CID 99984246
4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid
CID 99977705
3-[[(2S)-butan-2-yl]sulfamoyl]-4-(cyclohexylamino)benzoic acid
CID 99977841
3-(cycloheptylsulfamoyl)-4-(2-phenylethylamino)benzoic acid
CID 99978450
3-(benzylsulfamoyl)-4-[[(1S)-1-phenylethyl]amino]benzoic acid
CID 99979027
4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99981122
3-(benzylsulfamoyl)-4-[[(2S)-1-methoxypropan-2-yl]amino]benzoic acid
CID 99979084
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
3-(benzylsulfamoyl)-4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 99979035

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid?
The IUPAC name of 3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid (CID 99978998) is 3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid?
The canonical SMILES for 3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid is O=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid?
The InChIKey is CXDORMJDMGROHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-19(23)15-10-11-17(21-16-8-4-5-9-16)18(12-15)26(24,25)20-13-14-6-2-1-3-7-14/h1-3,6-7,10-12,16,20-21H,4-5,8-9,13H2,(H,22,23).
What are the key properties of 3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid?
3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid has a molecular weight of 374.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid is sourced from PubChem (CID 99978998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).