4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile

C15H10ClNO2S — CID 44593094

IUPAC4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C(\Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H10ClNO2S/c16-15(10-12-6-8-13(11-17)9-7-12)20(18,19)14-4-2-1-3-5-14/h1-10H/b15-10+
InChIKeyBODHXEYWPSGFJQ-XNTDXEJSSA-N
MW303.77 g/mol
LogP3.57
Rot. Bonds3

About 4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile

4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile (PubChem CID 44593094) has the molecular formula C15H10ClNO2S and a molecular weight of 303.77 g/mol. Its IUPAC name is 4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile
PubChem CID44593094
Molecular FormulaC15H10ClNO2S
Molecular Weight303.77 g/mol
Exact Mass303.01
IUPAC Name4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C(\Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H10ClNO2S/c16-15(10-12-6-8-13(11-17)9-7-12)20(18,19)14-4-2-1-3-5-14/h1-10H/b15-10+
InChIKeyBODHXEYWPSGFJQ-XNTDXEJSSA-N
XLogP3.57
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile (CID 44593094) is 4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile is N#Cc1ccc(/C=C(\Cl)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile?
The InChIKey is BODHXEYWPSGFJQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H10ClNO2S/c16-15(10-12-6-8-13(11-17)9-7-12)20(18,19)14-4-2-1-3-5-14/h1-10H/b15-10+.
What are the key properties of 4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile?
4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile has a molecular weight of 303.77 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]benzonitrile is sourced from PubChem (CID 44593094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).