4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid

C15H22N2O4S — CID 99977473

IUPAC4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1
InChIInChI=1S/C15H22N2O4S/c1-10(2)17-22(20,21)14-9-11(15(18)19)7-8-13(14)16-12-5-3-4-6-12/h7-10,12,16-17H,3-6H2,1-2H3,(H,18,19)
InChIKeyAVYDKZHWMAWMMU-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.43
Rot. Bonds6

About 4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid

4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid (PubChem CID 99977473) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
PubChem CID99977473
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1
InChIInChI=1S/C15H22N2O4S/c1-10(2)17-22(20,21)14-9-11(15(18)19)7-8-13(14)16-12-5-3-4-6-12/h7-10,12,16-17H,3-6H2,1-2H3,(H,18,19)
InChIKeyAVYDKZHWMAWMMU-UHFFFAOYSA-N
XLogP2.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-butan-2-yl]sulfamoyl]-4-(cyclohexylamino)benzoic acid
CID 99977841
4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99981122
4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid
CID 99977705
3-(butylsulfamoyl)-4-(cyclohexylamino)benzoic acid
CID 99977589
3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid
CID 99978998
4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
CID 99979327
4-[[(2S)-butan-2-yl]amino]-3-(cyclopentylsulfamoyl)benzoic acid
CID 99978274
3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid
CID 81389280
3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid
CID 99988461
3-(cyclohexylsulfamoyl)-4-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99978403
4-[[(2S)-pentan-2-yl]amino]-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977552
3-(cycloheptylsulfamoyl)-4-[[(2S)-1-methoxypropan-2-yl]amino]benzoic acid
CID 99978489

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid (CID 99977473) is 4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid is CC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid?
The InChIKey is AVYDKZHWMAWMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10(2)17-22(20,21)14-9-11(15(18)19)7-8-13(14)16-12-5-3-4-6-12/h7-10,12,16-17H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid?
4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid has a molecular weight of 326.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 99977473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).