4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide

C18H23NO3S — CID 3602682

IUPAC4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2ccc(C)cc2)c(C)c1C
InChIInChI=1S/C18H23NO3S/c1-12-6-8-16(9-7-12)11-19-23(20,21)18-13(2)10-17(22-5)14(3)15(18)4/h6-10,19H,11H2,1-5H3
InChIKeyWTYHQKYFDWHBKO-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.41
Rot. Bonds5

About 4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide

4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 3602682) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID3602682
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2ccc(C)cc2)c(C)c1C
InChIInChI=1S/C18H23NO3S/c1-12-6-8-16(9-7-12)11-19-23(20,21)18-13(2)10-17(22-5)14(3)15(18)4/h6-10,19H,11H2,1-5H3
InChIKeyWTYHQKYFDWHBKO-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]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-[(4-bromophenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3781710
N-[(3,5-dimethoxyphenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 5014375
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3527487
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide
CID 171675227
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 5163002
3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53288902
4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190964
N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3814873
4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 60985509

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 3602682) is 4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2ccc(C)cc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is WTYHQKYFDWHBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-12-6-8-16(9-7-12)11-19-23(20,21)18-13(2)10-17(22-5)14(3)15(18)4/h6-10,19H,11H2,1-5H3.
What are the key properties of 4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3602682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).