5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide

C14H20ClNO3S — CID 103835873

IUPAC5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C14H20ClNO3S/c1-10-5-6-12(15)8-14(10)20(18,19)16-9-11-3-2-4-13(17)7-11/h5-6,8,11,13,16-17H,2-4,7,9H2,1H3
InChIKeyWKMLBCPQIBUATL-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.48
Rot. Bonds4

About 5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide

5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 103835873) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
PubChem CID103835873
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C14H20ClNO3S/c1-10-5-6-12(15)8-14(10)20(18,19)16-9-11-3-2-4-13(17)7-11/h5-6,8,11,13,16-17H,2-4,7,9H2,1H3
InChIKeyWKMLBCPQIBUATL-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

5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 95984034
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 47171265
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887571
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide (CID 103835873) is 5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCC1CCCC(O)C1.
What is the InChIKey of 5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is WKMLBCPQIBUATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-10-5-6-12(15)8-14(10)20(18,19)16-9-11-3-2-4-13(17)7-11/h5-6,8,11,13,16-17H,2-4,7,9H2,1H3.
What are the key properties of 5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
5-chloro-N-[(3-hydroxycyclohexyl)methyl]-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-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 103835873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).