2-(2-cyanophenyl)sulfonylbenzonitrile

C14H8N2O2S — CID 18934243

IUPAC2-(2-cyanophenyl)sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H8N2O2S/c15-9-11-5-1-3-7-13(11)19(17,18)14-8-4-2-6-12(14)10-16/h1-8H
InChIKeyXUMIQSSJARACJY-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.26
Rot. Bonds2

About 2-(2-cyanophenyl)sulfonylbenzonitrile

2-(2-cyanophenyl)sulfonylbenzonitrile (PubChem CID 18934243) has the molecular formula C14H8N2O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfonylbenzonitrile.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfonylbenzonitrile
PubChem CID18934243
Molecular FormulaC14H8N2O2S
Molecular Weight268.30 g/mol
Exact Mass268.03
IUPAC Name2-(2-cyanophenyl)sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H8N2O2S/c15-9-11-5-1-3-7-13(11)19(17,18)14-8-4-2-6-12(14)10-16/h1-8H
InChIKeyXUMIQSSJARACJY-UHFFFAOYSA-N
XLogP2.26
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenyl)sulfonyl-N-methylbenzamide
CID 1471287
2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide
CID 1471309
2-(2-cyanophenyl)sulfonylguanidine
CID 172732874
2-(2,2-difluoroethylsulfonyl)benzonitrile
CID 84694361
2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
azane;benzene-1,2-dicarbonitrile
CID 141338892
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
CID 129263111

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfonylbenzonitrile?
The IUPAC name of 2-(2-cyanophenyl)sulfonylbenzonitrile (CID 18934243) is 2-(2-cyanophenyl)sulfonylbenzonitrile.
What is the SMILES notation for 2-(2-cyanophenyl)sulfonylbenzonitrile?
The canonical SMILES for 2-(2-cyanophenyl)sulfonylbenzonitrile is N#Cc1ccccc1S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)sulfonylbenzonitrile?
The InChIKey is XUMIQSSJARACJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2S/c15-9-11-5-1-3-7-13(11)19(17,18)14-8-4-2-6-12(14)10-16/h1-8H.
What are the key properties of 2-(2-cyanophenyl)sulfonylbenzonitrile?
2-(2-cyanophenyl)sulfonylbenzonitrile has a molecular weight of 268.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfonylbenzonitrile is sourced from PubChem (CID 18934243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).