4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C14H18ClNO4S — CID 60808405

IUPAC4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18ClNO4S/c1-9-8-11(15)4-7-13(9)21(19,20)16-12-5-2-10(3-6-12)14(17)18/h4,7-8,10,12,16H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyIMHJFSTYTDQIEV-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.57
Rot. Bonds4

About 4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 60808405) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID60808405
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18ClNO4S/c1-9-8-11(15)4-7-13(9)21(19,20)16-12-5-2-10(3-6-12)14(17)18/h4,7-8,10,12,16H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyIMHJFSTYTDQIEV-UHFFFAOYSA-N
XLogP2.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321490
N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119970980
4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 120782359
cis-(1R,3S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321526
4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 120968698
cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321577
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031352
3-[(4-chloro-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042577
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
4-[(6-chloro-2,3-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071127
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108565780
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 60808405) is 4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is Cc1cc(Cl)ccc1S(=O)(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is IMHJFSTYTDQIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-9-8-11(15)4-7-13(9)21(19,20)16-12-5-2-10(3-6-12)14(17)18/h4,7-8,10,12,16H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of 4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 331.82 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).