4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide

C16H19NO3S — CID 4214214

IUPAC4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C
InChIInChI=1S/C16H19NO3S/c1-4-20-16-10-9-14(11-13(16)3)21(18,19)17-15-8-6-5-7-12(15)2/h5-11,17H,4H2,1-3H3
InChIKeyJAPXGUWIHBKTBN-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.50
Rot. Bonds5

About 4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide

4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 4214214) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID4214214
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C
InChIInChI=1S/C16H19NO3S/c1-4-20-16-10-9-14(11-13(16)3)21(18,19)17-15-8-6-5-7-12(15)2/h5-11,17H,4H2,1-3H3
InChIKeyJAPXGUWIHBKTBN-UHFFFAOYSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-3-methyl-N-(2-methylphenyl)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-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
CID 154781020
3,4-diethoxy-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60597563
N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide (CID 4214214) is 4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is JAPXGUWIHBKTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-20-16-10-9-14(11-13(16)3)21(18,19)17-15-8-6-5-7-12(15)2/h5-11,17H,4H2,1-3H3.
What are the key properties of 4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide?
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 4214214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).