2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid

C14H18FNO4S — CID 82763507

IUPAC2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(F)c(S(=O)(=O)NC2CCCC2(C)C(=O)O)c1
InChIInChI=1S/C14H18FNO4S/c1-9-5-6-10(15)11(8-9)21(19,20)16-12-4-3-7-14(12,2)13(17)18/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyJPPLWQUKVRYZCL-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.06
Rot. Bonds4

About 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763507) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763507
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(F)c(S(=O)(=O)NC2CCCC2(C)C(=O)O)c1
InChIInChI=1S/C14H18FNO4S/c1-9-5-6-10(15)11(8-9)21(19,20)16-12-4-3-7-14(12,2)13(17)18/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyJPPLWQUKVRYZCL-UHFFFAOYSA-N
XLogP2.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-fluoro-4-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764317
2-[(7,8-dimethylquinolin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 167873321
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763494
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 104953272
2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763426
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945
1-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445428
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951
2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760031
2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762373
2-fluoro-5-methyl-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630429

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid (CID 82763507) is 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid is Cc1ccc(F)c(S(=O)(=O)NC2CCCC2(C)C(=O)O)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is JPPLWQUKVRYZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-9-5-6-10(15)11(8-9)21(19,20)16-12-4-3-7-14(12,2)13(17)18/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).