4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide

C26H22N2O3S — CID 46385849

IUPAC4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H22N2O3S/c29-26(28-24-9-5-2-6-10-24)23-13-11-21(12-14-23)22-15-17-25(18-16-22)32(30,31)27-19-20-7-3-1-4-8-20/h1-18,27H,19H2,(H,28,29)
InChIKeyXFQKJPMIQHHDNI-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.08
Rot. Bonds7

About 4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide

4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide (PubChem CID 46385849) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
PubChem CID46385849
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC Name4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H22N2O3S/c29-26(28-24-9-5-2-6-10-24)23-13-11-21(12-14-23)22-15-17-25(18-16-22)32(30,31)27-19-20-7-3-1-4-8-20/h1-18,27H,19H2,(H,28,29)
InChIKeyXFQKJPMIQHHDNI-UHFFFAOYSA-N
XLogP5.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70661029
N-[4-(benzylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4928896
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide?
The IUPAC name of 4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide (CID 46385849) is 4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide?
The canonical SMILES for 4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide?
The InChIKey is XFQKJPMIQHHDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c29-26(28-24-9-5-2-6-10-24)23-13-11-21(12-14-23)22-15-17-25(18-16-22)32(30,31)27-19-20-7-3-1-4-8-20/h1-18,27H,19H2,(H,28,29).
What are the key properties of 4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide?
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide has a molecular weight of 442.54 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide is sourced from PubChem (CID 46385849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).