4-(4-cyanophenyl)sulfonylbenzonitrile

C14H8N2O2S — CID 22963

IUPAC4-(4-cyanophenyl)sulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C14H8N2O2S/c15-9-11-1-5-13(6-2-11)19(17,18)14-7-3-12(10-16)4-8-14/h1-8H
InChIKeyMZKBKRFSDLTYAN-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.26
Rot. Bonds2

About 4-(4-cyanophenyl)sulfonylbenzonitrile

4-(4-cyanophenyl)sulfonylbenzonitrile (PubChem CID 22963) has the molecular formula C14H8N2O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-(4-cyanophenyl)sulfonylbenzonitrile.

Molecular Properties

Compound Name4-(4-cyanophenyl)sulfonylbenzonitrile
PubChem CID22963
Molecular FormulaC14H8N2O2S
Molecular Weight268.30 g/mol
Exact Mass268.03
IUPAC Name4-(4-cyanophenyl)sulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C14H8N2O2S/c15-9-11-1-5-13(6-2-11)19(17,18)14-7-3-12(10-16)4-8-14/h1-8H
InChIKeyMZKBKRFSDLTYAN-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

(2E)-3-(4-methylbenzenesulfonyl)prop-2-enenitrile
CID 5353431
p-Cyanobenzenesulphonamide
CID 76566
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
4-Cyanobenzenesulfonyl chloride
CID 39497
4-(4-Cyanophenyl)benzenesulfonamide
CID 102354117
4-(Phenylthio)phthalonitrile
CID 371801
Tosylacetonitrile
CID 79776
4-(Methylsulfonyl)benzonitrile
CID 519981
3-((4-Methylphenyl)sulfonyl)-2-propenenitrile
CID 2301
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
Tocris-1744
CID 6604905

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)sulfonylbenzonitrile?
The IUPAC name of 4-(4-cyanophenyl)sulfonylbenzonitrile (CID 22963) is 4-(4-cyanophenyl)sulfonylbenzonitrile.
What is the SMILES notation for 4-(4-cyanophenyl)sulfonylbenzonitrile?
The canonical SMILES for 4-(4-cyanophenyl)sulfonylbenzonitrile is N#Cc1ccc(S(=O)(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)sulfonylbenzonitrile?
The InChIKey is MZKBKRFSDLTYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2S/c15-9-11-1-5-13(6-2-11)19(17,18)14-7-3-12(10-16)4-8-14/h1-8H.
What are the key properties of 4-(4-cyanophenyl)sulfonylbenzonitrile?
4-(4-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 4-(4-cyanophenyl)sulfonylbenzonitrile is sourced from PubChem (CID 22963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).