2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid

C13H13ClN2O4S — CID 62961818

IUPAC2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
SMILESN#CC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C13H13ClN2O4S/c14-11-5-4-9(6-10(11)13(17)18)21(19,20)16-12-3-1-2-8(12)7-15/h4-6,8,12,16H,1-3H2,(H,17,18)
InChIKeyUFQOMRIYHWPMPL-UHFFFAOYSA-N
MW328.78 g/mol
LogP2.01
Rot. Bonds4

About 2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid

2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid (PubChem CID 62961818) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
PubChem CID62961818
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
SMILESN#CC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C13H13ClN2O4S/c14-11-5-4-9(6-10(11)13(17)18)21(19,20)16-12-3-1-2-8(12)7-15/h4-6,8,12,16H,1-3H2,(H,17,18)
InChIKeyUFQOMRIYHWPMPL-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

5-[(2-cyanocyclopentyl)sulfamoyl]-2-iodobenzoic acid
CID 103962487
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 115674549
4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62960903
2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide
CID 62962177
2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid
CID 62961272
N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
CID 101252932
3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62961811
2-chloro-5-(cyanosulfamoyl)benzoic acid
CID 79193576
4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62963448
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
2,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 55152720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid (CID 62961818) is 2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid is N#CC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is UFQOMRIYHWPMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c14-11-5-4-9(6-10(11)13(17)18)21(19,20)16-12-3-1-2-8(12)7-15/h4-6,8,12,16H,1-3H2,(H,17,18).
What are the key properties of 2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid?
2-chloro-5-[(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 2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 62961818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).