4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide

C21H17N3O3S — CID 109060608

IUPAC4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c22-14-16-6-10-19(11-7-16)24-21(25)18-8-12-20(13-9-18)28(26,27)23-15-17-4-2-1-3-5-17/h1-13,23H,15H2,(H,24,25)
InChIKeyGNSOAFRVFSPNTE-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.29
Rot. Bonds6

About 4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide

4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide (PubChem CID 109060608) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide.

Molecular Properties

Compound Name4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
PubChem CID109060608
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c22-14-16-6-10-19(11-7-16)24-21(25)18-8-12-20(13-9-18)28(26,27)23-15-17-4-2-1-3-5-17/h1-13,23H,15H2,(H,24,25)
InChIKeyGNSOAFRVFSPNTE-UHFFFAOYSA-N
XLogP3.29
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-phenylbenzamide
CID 46385849
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide
CID 4948284
N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 71904017
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426
N-[4-(benzylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4928896
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide
CID 4929080
N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060943
N-(4-cyanophenyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 26699329

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide?
The IUPAC name of 4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide (CID 109060608) is 4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide.
What is the SMILES notation for 4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide?
The canonical SMILES for 4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide is N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide?
The InChIKey is GNSOAFRVFSPNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c22-14-16-6-10-19(11-7-16)24-21(25)18-8-12-20(13-9-18)28(26,27)23-15-17-4-2-1-3-5-17/h1-13,23H,15H2,(H,24,25).
What are the key properties of 4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide?
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide has a molecular weight of 391.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide is sourced from PubChem (CID 109060608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).