N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide

C21H17N3O3S — CID 134035426

IUPACN-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c22-14-16-6-8-17(9-7-16)15-23-21(25)18-10-12-20(13-11-18)28(26,27)24-19-4-2-1-3-5-19/h1-13,24H,15H2,(H,23,25)
InChIKeyQGVNFBBBVLZACP-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.29
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide

N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 134035426) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
PubChem CID134035426
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c22-14-16-6-8-17(9-7-16)15-23-21(25)18-10-12-20(13-11-18)28(26,27)24-19-4-2-1-3-5-19/h1-13,24H,15H2,(H,23,25)
InChIKeyQGVNFBBBVLZACP-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

N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
4-[(4-cyanophenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109060862
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
N-(furan-3-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 55700082
4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55947241
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 46546770
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 55428597
4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059868
N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide
CID 62269661
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide (CID 134035426) is N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide is N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is QGVNFBBBVLZACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c22-14-16-6-8-17(9-7-16)15-23-21(25)18-10-12-20(13-11-18)28(26,27)24-19-4-2-1-3-5-19/h1-13,24H,15H2,(H,23,25).
What are the key properties of N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide?
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)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 N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 134035426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).