N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide

C15H23NO3S — CID 142023630

IUPACN-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C15H23NO3S/c1-12-8-9-14(19-2)15(10-12)20(17,18)16-11-13-6-4-3-5-7-13/h8-10,13,16H,3-7,11H2,1-2H3
InChIKeyKJSWJXXAOXFQAR-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.86
Rot. Bonds5

About N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide

N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 142023630) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID142023630
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C15H23NO3S/c1-12-8-9-14(19-2)15(10-12)20(17,18)16-11-13-6-4-3-5-7-13/h8-10,13,16H,3-7,11H2,1-2H3
InChIKeyKJSWJXXAOXFQAR-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084395
2-methoxy-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640333
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
N-cyclohexyl-N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052998
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide
CID 79888817
2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888118
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 95187888
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide (CID 142023630) is N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is KJSWJXXAOXFQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12-8-9-14(19-2)15(10-12)20(17,18)16-11-13-6-4-3-5-7-13/h8-10,13,16H,3-7,11H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 142023630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).