4-cyano-N-methylsulfonylbenzamide

C9H8N2O3S — CID 47232721

IUPAC4-cyano-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C9H8N2O3S/c1-15(13,14)11-9(12)8-4-2-7(6-10)3-5-8/h2-5H,1H3,(H,11,12)
InChIKeyCFHYYCHZZXAESX-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.25
Rot. Bonds2

About 4-cyano-N-methylsulfonylbenzamide

4-cyano-N-methylsulfonylbenzamide (PubChem CID 47232721) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-cyano-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-cyano-N-methylsulfonylbenzamide
PubChem CID47232721
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name4-cyano-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C9H8N2O3S/c1-15(13,14)11-9(12)8-4-2-7(6-10)3-5-8/h2-5H,1H3,(H,11,12)
InChIKeyCFHYYCHZZXAESX-UHFFFAOYSA-N
XLogP0.25
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]sulfonyl-4-cyanobenzamide
CID 97351290
1-(4-cyanophenyl)-2,5-dimethyl-N-methylsulfonylpyrrole-3-carboxamide
CID 146154363
4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63866133
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032
4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide
CID 146146375
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
4-cyanobenzoyl bromide
CID 22321969
6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide
CID 156860293
sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide
CID 87763473
4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
CID 26951550
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methylsulfonylbenzamide?
The IUPAC name of 4-cyano-N-methylsulfonylbenzamide (CID 47232721) is 4-cyano-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-cyano-N-methylsulfonylbenzamide?
The canonical SMILES for 4-cyano-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-methylsulfonylbenzamide?
The InChIKey is CFHYYCHZZXAESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-15(13,14)11-9(12)8-4-2-7(6-10)3-5-8/h2-5H,1H3,(H,11,12).
What are the key properties of 4-cyano-N-methylsulfonylbenzamide?
4-cyano-N-methylsulfonylbenzamide has a molecular weight of 224.24 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methylsulfonylbenzamide is sourced from PubChem (CID 47232721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).