2-(2-cyanophenyl)sulfonyl-N-methylbenzamide

C15H12N2O3S — CID 1471287

IUPAC2-(2-cyanophenyl)sulfonyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C15H12N2O3S/c1-17-15(18)12-7-3-5-9-14(12)21(19,20)13-8-4-2-6-11(13)10-16/h2-9H,1H3,(H,17,18)
InChIKeyJZQYHZDRJOCPEK-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.75
Rot. Bonds3

About 2-(2-cyanophenyl)sulfonyl-N-methylbenzamide

2-(2-cyanophenyl)sulfonyl-N-methylbenzamide (PubChem CID 1471287) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfonyl-N-methylbenzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfonyl-N-methylbenzamide
PubChem CID1471287
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-(2-cyanophenyl)sulfonyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C15H12N2O3S/c1-17-15(18)12-7-3-5-9-14(12)21(19,20)13-8-4-2-6-11(13)10-16/h2-9H,1H3,(H,17,18)
InChIKeyJZQYHZDRJOCPEK-UHFFFAOYSA-N
XLogP1.75
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(Phenylsulfonylmethyl)benzamide
CID 786537
4-cyano-N-(3-phenylsulfanylpropyl)benzamide
CID 4792267
N-{[(4-methylphenyl)sulfonyl]methyl}benzamide
CID 764751
N-Methyl-9-oxothioxanthene-3-carboxamide 10,10-dioxide
CID 11722381
N-[(4-fluorophenyl)methyl]-4-methylsulfonylbenzamide
CID 2438709
Benzamide, N-[(phenylthio)methyl]-
CID 3631644
N-[4-(aminosulfonyl)benzyl]-2-(ethylthio)benzamide
CID 2211720
2-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2572183
N-Allyl-2-((2-cyanophenyl)sulfinyl)benzenecarboxamide
CID 3747038
2-[(2-cyanophenyl)sulfanyl]-N-methylbenzenecarboxamide
CID 3767281
N-Phenylsulfanylmethyl-4-sulfamoyl-benzamide
CID 10087507
5-(Aminosulfonyl)-N-ethyl-2-(phenylthio)benzamide
CID 46887935

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfonyl-N-methylbenzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfonyl-N-methylbenzamide (CID 1471287) is 2-(2-cyanophenyl)sulfonyl-N-methylbenzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfonyl-N-methylbenzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfonyl-N-methylbenzamide is CNC(=O)c1ccccc1S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)sulfonyl-N-methylbenzamide?
The InChIKey is JZQYHZDRJOCPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-17-15(18)12-7-3-5-9-14(12)21(19,20)13-8-4-2-6-11(13)10-16/h2-9H,1H3,(H,17,18).
What are the key properties of 2-(2-cyanophenyl)sulfonyl-N-methylbenzamide?
2-(2-cyanophenyl)sulfonyl-N-methylbenzamide has a molecular weight of 300.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfonyl-N-methylbenzamide is sourced from PubChem (CID 1471287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).