2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid

C14H19NO4S — CID 114543628

IUPAC2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C14H19NO4S/c1-10-2-5-12(8-10)15-20(18,19)13-6-3-11(4-7-13)9-14(16)17/h3-4,6-7,10,12,15H,2,5,8-9H2,1H3,(H,16,17)
InChIKeyHDGQATYNQVBSMS-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.78
Rot. Bonds5

About 2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid

2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid (PubChem CID 114543628) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
PubChem CID114543628
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C14H19NO4S/c1-10-2-5-12(8-10)15-20(18,19)13-6-3-11(4-7-13)9-14(16)17/h3-4,6-7,10,12,15H,2,5,8-9H2,1H3,(H,16,17)
InChIKeyHDGQATYNQVBSMS-UHFFFAOYSA-N
XLogP1.78
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
CID 114545305
4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545150
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826
2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid
CID 113463674
4-(2-chloroethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 43662590
4-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114550763
3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551938
4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027391
4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545500

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid (CID 114543628) is 2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid is CC1CCC(NS(=O)(=O)c2ccc(CC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is HDGQATYNQVBSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10-2-5-12(8-10)15-20(18,19)13-6-3-11(4-7-13)9-14(16)17/h3-4,6-7,10,12,15H,2,5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid?
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 114543628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).