4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide

C15H22ClNO3S — CID 65121452

IUPAC4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C15H22ClNO3S/c1-11-4-3-7-15(18,9-11)10-17-21(19,20)14-6-5-13(16)8-12(14)2/h5-6,8,11,17-18H,3-4,7,9-10H2,1-2H3
InChIKeyLFKVCESGNTUWAZ-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.87
Rot. Bonds4

About 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide

4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 65121452) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide
PubChem CID65121452
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C15H22ClNO3S/c1-11-4-3-7-15(18,9-11)10-17-21(19,20)14-6-5-13(16)8-12(14)2/h5-6,8,11,17-18H,3-4,7,9-10H2,1-2H3
InChIKeyLFKVCESGNTUWAZ-UHFFFAOYSA-N
XLogP2.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121838
3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121305
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 107271501
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121358
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 65123067
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide
CID 103300172
4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65102885
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847940
5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 65115857
1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol
CID 115754155
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-nitrobenzenesulfonamide
CID 115753946
2-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzenesulfonamide
CID 79466710

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide (CID 65121452) is 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is LFKVCESGNTUWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-11-4-3-7-15(18,9-11)10-17-21(19,20)14-6-5-13(16)8-12(14)2/h5-6,8,11,17-18H,3-4,7,9-10H2,1-2H3.
What are the key properties of 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide?
4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 65121452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).