3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide

C17H19NO4S — CID 110780917

IUPAC3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-22-16-9-7-14(8-10-16)12-18-23(20,21)17-6-4-5-15(11-17)13(2)19/h4-11,18H,3,12H2,1-2H3
InChIKeyYNPJIJYQDMQFMZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.77
Rot. Bonds7

About 3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide

3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 110780917) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
PubChem CID110780917
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-22-16-9-7-14(8-10-16)12-18-23(20,21)17-6-4-5-15(11-17)13(2)19/h4-11,18H,3,12H2,1-2H3
InChIKeyYNPJIJYQDMQFMZ-UHFFFAOYSA-N
XLogP2.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-N-[(4-ethoxyphenyl)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

[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191371
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665559
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 110780749
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 27621480
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24575206
3-acetyl-N-(2,2-diethoxyethyl)benzenesulfonamide
CID 78907733
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785887
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide (CID 110780917) is 3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide is CCOc1ccc(CNS(=O)(=O)c2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is YNPJIJYQDMQFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-22-16-9-7-14(8-10-16)12-18-23(20,21)17-6-4-5-15(11-17)13(2)19/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide?
3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110780917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).