2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid

C15H22N2O4S — CID 99981604

IUPAC2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid
SMILESCCCNS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O4S/c1-2-9-16-22(20,21)12-7-8-14(13(10-12)15(18)19)17-11-5-3-4-6-11/h7-8,10-11,16-17H,2-6,9H2,1H3,(H,18,19)
InChIKeyUIQQVBQAXIYHIQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.43
Rot. Bonds7

About 2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid

2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid (PubChem CID 99981604) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid
PubChem CID99981604
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid
SMILESCCCNS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O4S/c1-2-9-16-22(20,21)12-7-8-14(13(10-12)15(18)19)17-11-5-3-4-6-11/h7-8,10-11,16-17H,2-6,9H2,1H3,(H,18,19)
InChIKeyUIQQVBQAXIYHIQ-UHFFFAOYSA-N
XLogP2.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
CID 99982225
5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
CID 99984246
2-(cyclohexylamino)-5-sulfamoylbenzoic acid
CID 43322683
2-[[(2S)-butan-2-yl]amino]-5-(propylsulfamoyl)benzoic acid
CID 99981585
5-(butylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 99981853
2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 99985163
2-[2-(cyclohexen-1-yl)ethylamino]-5-(propylsulfamoyl)benzoic acid
CID 99981613
5-(cyclopentylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid
CID 99982970
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
CID 60734449
2-(butylamino)-5-(cyclopropylsulfamoyl)benzoic acid
CID 99982792
3-(butylsulfamoyl)-4-(cyclohexylamino)benzoic acid
CID 99977589
2-(butylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99983490

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid?
The IUPAC name of 2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid (CID 99981604) is 2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid is CCCNS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)O)c1.
What is the InChIKey of 2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid?
The InChIKey is UIQQVBQAXIYHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-9-16-22(20,21)12-7-8-14(13(10-12)15(18)19)17-11-5-3-4-6-11/h7-8,10-11,16-17H,2-6,9H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid?
2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid has a molecular weight of 326.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid is sourced from PubChem (CID 99981604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).