2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C14H19NO4S — CID 64818390

IUPAC2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccc(S(=O)(=O)NC2CCCCC2C(=O)O)c1
InChIInChI=1S/C14H19NO4S/c1-10-5-4-6-11(9-10)20(18,19)15-13-8-3-2-7-12(13)14(16)17/h4-6,9,12-13,15H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyZCXUKZFCDXHFCB-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.92
Rot. Bonds4

About 2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 64818390) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID64818390
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cccc(S(=O)(=O)NC2CCCCC2C(=O)O)c1
InChIInChI=1S/C14H19NO4S/c1-10-5-4-6-11(9-10)20(18,19)15-13-8-3-2-7-12(13)14(16)17/h4-6,9,12-13,15H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyZCXUKZFCDXHFCB-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

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Related Compounds

2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817207
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 167750721
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid
CID 154742702
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
3-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]benzoic acid
CID 107216276

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 64818390) is 2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is Cc1cccc(S(=O)(=O)NC2CCCCC2C(=O)O)c1.
What is the InChIKey of 2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ZCXUKZFCDXHFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10-5-4-6-11(9-10)20(18,19)15-13-8-3-2-7-12(13)14(16)17/h4-6,9,12-13,15H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
2-[(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 2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64818390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).