4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid

C13H13ClN2O4S — CID 62960903

IUPAC4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
SMILESN#CC1CCCC1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C13H13ClN2O4S/c14-10-5-4-8(13(17)18)6-12(10)21(19,20)16-11-3-1-2-9(11)7-15/h4-6,9,11,16H,1-3H2,(H,17,18)
InChIKeyCCEOGIAAUYALHV-UHFFFAOYSA-N
MW328.78 g/mol
LogP2.01
Rot. Bonds4

About 4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid

4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid (PubChem CID 62960903) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
PubChem CID62960903
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
SMILESN#CC1CCCC1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C13H13ClN2O4S/c14-10-5-4-8(13(17)18)6-12(10)21(19,20)16-11-3-1-2-9(11)7-15/h4-6,9,11,16H,1-3H2,(H,17,18)
InChIKeyCCEOGIAAUYALHV-UHFFFAOYSA-N
XLogP2.01
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62961818
4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62963448
4-[[(1S,6R)-2-bicyclo[4.1.0]heptanyl]sulfamoyl]-3-chlorobenzoic acid
CID 139021849
3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 115674549
4-chloro-3-[(1-oxothian-4-yl)sulfamoyl]benzoic acid
CID 104655249
4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide
CID 103876619
5-[(2-cyanocyclopentyl)sulfamoyl]-2-iodobenzoic acid
CID 103962487
N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide
CID 62963627
4-bromo-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281568
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680
4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281293
4-chloro-3-[(2-methylcyclopentyl)sulfamoyl]benzenecarbothioamide
CID 80704139

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid (CID 62960903) is 4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid is N#CC1CCCC1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is CCEOGIAAUYALHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c14-10-5-4-8(13(17)18)6-12(10)21(19,20)16-11-3-1-2-9(11)7-15/h4-6,9,11,16H,1-3H2,(H,17,18).
What are the key properties of 4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid?
4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid has a molecular weight of 328.78 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 62960903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).