N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

C21H17N3O3S — CID 71904017

IUPACN-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-24(19-5-3-2-4-6-19)28(26,27)20-13-9-17(10-14-20)21(25)23-18-11-7-16(15-22)8-12-18/h2-14H,1H3,(H,23,25)
InChIKeyPBPSRFVZTRPDRQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.64
Rot. Bonds5

About N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 71904017) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID71904017
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-24(19-5-3-2-4-6-19)28(26,27)20-13-9-17(10-14-20)21(25)23-18-11-7-16(15-22)8-12-18/h2-14H,1H3,(H,23,25)
InChIKeyPBPSRFVZTRPDRQ-UHFFFAOYSA-N
XLogP3.64
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
CID 121238654
N-(4-cyanophenyl)-3-[methyl-(4-methylsulfonylphenyl)sulfamoyl]benzamide
CID 90342533
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46533296
4-[methyl(phenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849780
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
N-(4-cyanophenyl)-3-[methyl-(4-methylsulfinylphenyl)sulfamoyl]benzamide
CID 90342490

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 71904017) is N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is PBPSRFVZTRPDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-24(19-5-3-2-4-6-19)28(26,27)20-13-9-17(10-14-20)21(25)23-18-11-7-16(15-22)8-12-18/h2-14H,1H3,(H,23,25).
What are the key properties of N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 71904017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).