4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide

C18H23NO3S — CID 956359

IUPAC4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C
InChIInChI=1S/C18H23NO3S/c1-12(2)16-8-6-7-13(3)18(16)19-23(20,21)15-9-10-17(22-5)14(4)11-15/h6-12,19H,1-5H3
InChIKeyMHFMAHYFYRPKMJ-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.24
Rot. Bonds5

About 4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide

4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 956359) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
PubChem CID956359
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C
InChIInChI=1S/C18H23NO3S/c1-12(2)16-8-6-7-13(3)18(16)19-23(20,21)15-9-10-17(22-5)14(4)11-15/h6-12,19H,1-5H3
InChIKeyMHFMAHYFYRPKMJ-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)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-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696937
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate
CID 99582827
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298
N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 898813
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 55681681
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
N-(2-methoxyethyl)-3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109063672
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide (CID 956359) is 4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is MHFMAHYFYRPKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-12(2)16-8-6-7-13(3)18(16)19-23(20,21)15-9-10-17(22-5)14(4)11-15/h6-12,19H,1-5H3.
What are the key properties of 4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 956359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).