N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

C21H17N3O3S — CID 9164276

IUPACN-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C21H17N3O3S/c1-15-8-10-18(11-9-15)24-28(26,27)20-7-3-5-17(13-20)21(25)23-19-6-2-4-16(12-19)14-22/h2-13,24H,1H3,(H,23,25)
InChIKeyFTXVFRGSSSFFIO-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.92
Rot. Bonds5

About N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 9164276) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID9164276
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C21H17N3O3S/c1-15-8-10-18(11-9-15)24-28(26,27)20-7-3-5-17(13-20)21(25)23-19-6-2-4-16(12-19)14-22/h2-13,24H,1H3,(H,23,25)
InChIKeyFTXVFRGSSSFFIO-UHFFFAOYSA-N
XLogP3.92
TPSA99.06 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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 9414207
N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109065841
N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164338
N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 109065822
4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide
CID 2083431
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 9164276) is N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is FTXVFRGSSSFFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-15-8-10-18(11-9-15)24-28(26,27)20-7-3-5-17(13-20)21(25)23-19-6-2-4-16(12-19)14-22/h2-13,24H,1H3,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 9164276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).