4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide

C21H19NO4S — CID 2524664

IUPAC4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO4S/c1-16(23)18-7-13-21(14-8-18)27(24,25)22-19-9-11-20(12-10-19)26-15-17-5-3-2-4-6-17/h2-14,22H,15H2,1H3
InChIKeyALBVMYQCJCKFAG-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.27
Rot. Bonds7

About 4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide

4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 2524664) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID2524664
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO4S/c1-16(23)18-7-13-21(14-8-18)27(24,25)22-19-9-11-20(12-10-19)26-15-17-5-3-2-4-6-17/h2-14,22H,15H2,1H3
InChIKeyALBVMYQCJCKFAG-UHFFFAOYSA-N
XLogP4.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-(4-phenylmethoxyphenyl)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

Sulfaproxyline
CID 67002
N-(4-Ethoxyphenyl)-4-methylbenzenesulfonamide
CID 284083
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
3,5-Bis(4-ethoxybenzenesulfonamido)benzoic acid
CID 2390814
3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
Ethyl 4-[[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 5019635
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
5-{[(4-Ethoxyphenyl)amino]sulfonyl}-2-methylbenzamide
CID 1332096
4-{[(2-Methoxyphenyl)amino]sulfonyl}benzamide
CID 2098777
2-Methyl-5-[[4-(3-methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2470819
S-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]ethyl] ethanethioate
CID 11604452

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide (CID 2524664) is 4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is ALBVMYQCJCKFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-16(23)18-7-13-21(14-8-18)27(24,25)22-19-9-11-20(12-10-19)26-15-17-5-3-2-4-6-17/h2-14,22H,15H2,1H3.
What are the key properties of 4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2524664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).