N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide

C21H17N3O3S — CID 90070509

IUPACN-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide
SMILESN#Cc1ccc(CNC(=O)c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c22-13-15-5-7-16(8-6-15)14-24-21(25)20-4-2-1-3-19(20)17-9-11-18(12-10-17)28(23,26)27/h1-12H,14H2,(H,24,25)(H2,23,26,27)
InChIKeyRCLUQJVJHZJLFW-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.80
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide

N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide (PubChem CID 90070509) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide
PubChem CID90070509
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide
SMILESN#Cc1ccc(CNC(=O)c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c22-13-15-5-7-16(8-6-15)14-24-21(25)20-4-2-1-3-19(20)17-9-11-18(12-10-17)28(23,26)27/h1-12H,14H2,(H,24,25)(H2,23,26,27)
InChIKeyRCLUQJVJHZJLFW-UHFFFAOYSA-N
XLogP2.80
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide
CID 144564242
N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 46546770
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2168182
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426
4-bromo-N-[(4-cyanophenyl)methyl]-2-hydroxybenzamide
CID 47466194
2-(4-cyanophenyl)benzoic acid
CID 2757952
N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 73052178
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide (CID 90070509) is N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide is N#Cc1ccc(CNC(=O)c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide?
The InChIKey is RCLUQJVJHZJLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c22-13-15-5-7-16(8-6-15)14-24-21(25)20-4-2-1-3-19(20)17-9-11-18(12-10-17)28(23,26)27/h1-12H,14H2,(H,24,25)(H2,23,26,27).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide?
N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide has a molecular weight of 391.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 90070509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).