4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide

C21H20N2O4S — CID 2465106

IUPAC4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide
SMILESCOc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-15(24)16-7-13-19(14-8-16)28(25,26)23-18-11-9-17(10-12-18)22-20-5-3-4-6-21(20)27-2/h3-14,22-23H,1-2H3
InChIKeyLLWUXRYGQBBKEC-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.44
Rot. Bonds7

About 4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide

4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide (PubChem CID 2465106) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide
PubChem CID2465106
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide
SMILESCOc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-15(24)16-7-13-19(14-8-16)28(25,26)23-18-11-9-17(10-12-18)22-20-5-3-4-6-21(20)27-2/h3-14,22-23H,1-2H3
InChIKeyLLWUXRYGQBBKEC-UHFFFAOYSA-N
XLogP4.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
CID 1295236
4-[(4-ethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 7516537
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 25348450
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
methyl 2-[4-[(4-methylphenyl)sulfonylamino]anilino]benzoate
CID 112988470
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzenesulfonamide
CID 112985917

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide (CID 2465106) is 4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide is COc1ccccc1Nc1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide?
The InChIKey is LLWUXRYGQBBKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-15(24)16-7-13-19(14-8-16)28(25,26)23-18-11-9-17(10-12-18)22-20-5-3-4-6-21(20)27-2/h3-14,22-23H,1-2H3.
What are the key properties of 4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide?
4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide is sourced from PubChem (CID 2465106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).