2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C14H19NO4S — CID 64817207

IUPAC2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)cc(S(=O)(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C14H19NO4S/c1-9-6-10(2)8-11(7-9)20(18,19)15-13-5-3-4-12(13)14(16)17/h6-8,12-13,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyRIXJWZFNGFJUET-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.84
Rot. Bonds4

About 2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 64817207) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID64817207
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)cc(S(=O)(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C14H19NO4S/c1-9-6-10(2)8-11(7-9)20(18,19)15-13-5-3-4-12(13)14(16)17/h6-8,12-13,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyRIXJWZFNGFJUET-UHFFFAOYSA-N
XLogP1.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-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-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 167750721
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide
CID 43256183
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64818376
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 70215750
2-(thiophen-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 64816831
2-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 104709662
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817397
2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid
CID 154742702
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64816640

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 64817207) is 2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is Cc1cc(C)cc(S(=O)(=O)NC2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RIXJWZFNGFJUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9-6-10(2)8-11(7-9)20(18,19)15-13-5-3-4-12(13)14(16)17/h6-8,12-13,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).