4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide

C27H24N2O4S — CID 46385858

IUPAC4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C27H24N2O4S/c1-33-25-15-13-24(14-16-25)29-27(30)23-9-7-21(8-10-23)22-11-17-26(18-12-22)34(31,32)28-19-20-5-3-2-4-6-20/h2-18,28H,19H2,1H3,(H,29,30)
InChIKeyPGBIULVHQSNEOT-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.09
Rot. Bonds8

About 4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide

4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 46385858) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
PubChem CID46385858
Molecular FormulaC27H24N2O4S
Molecular Weight472.57 g/mol
Exact Mass472.15
IUPAC Name4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C27H24N2O4S/c1-33-25-15-13-24(14-16-25)29-27(30)23-9-7-21(8-10-23)22-11-17-26(18-12-22)34(31,32)28-19-20-5-3-2-4-6-20/h2-18,28H,19H2,1H3,(H,29,30)
InChIKeyPGBIULVHQSNEOT-UHFFFAOYSA-N
XLogP5.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide
CID 4948284
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548773

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide (CID 46385858) is 4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is PGBIULVHQSNEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-33-25-15-13-24(14-16-25)29-27(30)23-9-7-21(8-10-23)22-11-17-26(18-12-22)34(31,32)28-19-20-5-3-2-4-6-20/h2-18,28H,19H2,1H3,(H,29,30).
What are the key properties of 4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide?
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 472.57 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 46385858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).