5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide

C14H20ClNO3S — CID 103815189

IUPAC5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC1CCCCC1CO
InChIInChI=1S/C14H20ClNO3S/c1-10-6-7-12(15)8-14(10)20(18,19)16-13-5-3-2-4-11(13)9-17/h6-8,11,13,16-17H,2-5,9H2,1H3
InChIKeyXKLFKZMTUQZSLY-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.48
Rot. Bonds4

About 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide

5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide (PubChem CID 103815189) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
PubChem CID103815189
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC1CCCCC1CO
InChIInChI=1S/C14H20ClNO3S/c1-10-6-7-12(15)8-14(10)20(18,19)16-13-5-3-2-4-11(13)9-17/h6-8,11,13,16-17H,2-5,9H2,1H3
InChIKeyXKLFKZMTUQZSLY-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
CID 103835995
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 106358830
2,3,4-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858682
2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103815165
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 103836067
5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 95984034
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide
CID 106367511

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide (CID 103815189) is 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NC1CCCCC1CO.
What is the InChIKey of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide?
The InChIKey is XKLFKZMTUQZSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-10-6-7-12(15)8-14(10)20(18,19)16-13-5-3-2-4-11(13)9-17/h6-8,11,13,16-17H,2-5,9H2,1H3.
What are the key properties of 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide?
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 103815189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).