4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C14H19NO4S — CID 60808567

IUPAC4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C14H19NO4S/c1-10-3-2-4-13(9-10)20(18,19)15-12-7-5-11(6-8-12)14(16)17/h2-4,9,11-12,15H,5-8H2,1H3,(H,16,17)
InChIKeyURNYQXAXBPKONX-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.92
Rot. Bonds4

About 4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 60808567) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID60808567
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C14H19NO4S/c1-10-3-2-4-13(9-10)20(18,19)15-12-7-5-11(6-8-12)14(16)17/h2-4,9,11-12,15H,5-8H2,1H3,(H,16,17)
InChIKeyURNYQXAXBPKONX-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3-methylphenyl)sulfonylamino]cyclohexane-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

4-[(3-bromophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809051
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321518
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-[(2,6-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809042
4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808405
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352
cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
CID 144506974
4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122101413
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 60808567) is 4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is Cc1cccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is URNYQXAXBPKONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10-3-2-4-13(9-10)20(18,19)15-12-7-5-11(6-8-12)14(16)17/h2-4,9,11-12,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).