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

C13H16ClNO4S — CID 63281524

IUPAC2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C13H16ClNO4S/c1-8-3-2-4-12(8)15-20(18,19)9-5-6-11(14)10(7-9)13(16)17/h5-8,12,15H,2-4H2,1H3,(H,16,17)
InChIKeyYEGXMJRINRZUKX-UHFFFAOYSA-N
MW317.79 g/mol
LogP2.51
Rot. Bonds4

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

2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid (PubChem CID 63281524) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
PubChem CID63281524
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C13H16ClNO4S/c1-8-3-2-4-12(8)15-20(18,19)9-5-6-11(14)10(7-9)13(16)17/h5-8,12,15H,2-4H2,1H3,(H,16,17)
InChIKeyYEGXMJRINRZUKX-UHFFFAOYSA-N
XLogP2.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62961818
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
CID 112689807
N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 4190481
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylbenzoic acid
CID 30053258
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
3-butoxy-4-chloro-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 35202724
2-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 79188651

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid (CID 63281524) is 2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid is CC1CCCC1NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is YEGXMJRINRZUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-8-3-2-4-12(8)15-20(18,19)9-5-6-11(14)10(7-9)13(16)17/h5-8,12,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid has a molecular weight of 317.79 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63281524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).