3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide

C15H23NO4S — CID 3582410

IUPAC3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2C)cc1OC
InChIInChI=1S/C15H23NO4S/c1-11-6-4-5-7-13(11)16-21(17,18)12-8-9-14(19-2)15(10-12)20-3/h8-11,13,16H,4-7H2,1-3H3
InChIKeyNUUUXOWGRWGDJB-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.56
Rot. Bonds5

About 3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide

3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 3582410) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID3582410
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2C)cc1OC
InChIInChI=1S/C15H23NO4S/c1-11-6-4-5-7-13(11)16-21(17,18)12-8-9-14(19-2)15(10-12)20-3/h8-11,13,16H,4-7H2,1-3H3
InChIKeyNUUUXOWGRWGDJB-UHFFFAOYSA-N
XLogP2.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzene-1-sulfonamide
CID 583390
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
N-hexyl-3,4-dimethoxybenzenesulfonamide
CID 3243273
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
N-bicyclo[2.2.1]hept-2-yl-4-methoxybenzenesulfonamide
CID 2900004
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
CID 740562
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-methylpiperidine
CID 761426
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803
N-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 757234
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 1092329
N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2890826

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide (CID 3582410) is 3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCCC2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is NUUUXOWGRWGDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11-6-4-5-7-13(11)16-21(17,18)12-8-9-14(19-2)15(10-12)20-3/h8-11,13,16H,4-7H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 3582410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).