4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide

C22H21NO5S — CID 8519490

IUPAC4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(C)=O)cc3)ccc2OC)cc1
InChIInChI=1S/C22H21NO5S/c1-15(24)16-6-11-20(12-7-16)29(25,26)23-18-8-13-22(28-3)21(14-18)17-4-9-19(27-2)10-5-17/h4-14,23H,1-3H3
InChIKeyCEFGGMYHQPIWGH-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.37
Rot. Bonds7

About 4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide

4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 8519490) has the molecular formula C22H21NO5S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID8519490
Molecular FormulaC22H21NO5S
Molecular Weight411.48 g/mol
Exact Mass411.11
IUPAC Name4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(C)=O)cc3)ccc2OC)cc1
InChIInChI=1S/C22H21NO5S/c1-15(24)16-6-11-20(12-7-16)29(25,26)23-18-8-13-22(28-3)21(14-18)17-4-9-19(27-2)10-5-17/h4-14,23H,1-3H3
InChIKeyCEFGGMYHQPIWGH-UHFFFAOYSA-N
XLogP4.37
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]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-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide
CID 8519502
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
4-acetyl-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 39873991
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide
CID 2465106
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42966975
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide (CID 8519490) is 4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(C)=O)cc3)ccc2OC)cc1.
What is the InChIKey of 4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is CEFGGMYHQPIWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5S/c1-15(24)16-6-11-20(12-7-16)29(25,26)23-18-8-13-22(28-3)21(14-18)17-4-9-19(27-2)10-5-17/h4-14,23H,1-3H3.
What are the key properties of 4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide?
4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 411.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8519490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).