2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile

C14H9F2NO2S — CID 107119999

IUPAC2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile
SMILESN#Cc1cccc(CS(=O)(=O)c2ccccc2F)c1F
InChIInChI=1S/C14H9F2NO2S/c15-12-6-1-2-7-13(12)20(18,19)9-11-5-3-4-10(8-17)14(11)16/h1-7H,9H2
InChIKeyNVEVNXQWFZLGSS-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.81
Rot. Bonds3

About 2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile

2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile (PubChem CID 107119999) has the molecular formula C14H9F2NO2S and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile
PubChem CID107119999
Molecular FormulaC14H9F2NO2S
Molecular Weight293.29 g/mol
Exact Mass293.03
IUPAC Name2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile
SMILESN#Cc1cccc(CS(=O)(=O)c2ccccc2F)c1F
InChIInChI=1S/C14H9F2NO2S/c15-12-6-1-2-7-13(12)20(18,19)9-11-5-3-4-10(8-17)14(11)16/h1-7H,9H2
InChIKeyNVEVNXQWFZLGSS-UHFFFAOYSA-N
XLogP2.81
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromophenyl)sulfonylmethyl]-2-fluorobenzonitrile
CID 107120007
3-[(2-amino-3-methylphenyl)sulfonylmethyl]-2-fluorobenzonitrile
CID 107120239
3-[(2-amino-4-chlorophenyl)sulfonylmethyl]-2-fluorobenzonitrile
CID 107120201
2-fluoro-3-(methylsulfonylmethyl)benzonitrile
CID 107120026
tert-butyl N-[(3-cyano-2-fluorophenyl)methyl]-N-methylcarbamate
CID 83410756
N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide
CID 2695392
methyl 2-[(3-cyano-2-fluorophenyl)methylsulfonyl]acetate
CID 107120019
2-[(4-amino-3-fluorophenyl)sulfonylmethyl]benzonitrile
CID 81191177
3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-fluorobenzonitrile
CID 103912415
3-benzylsulfonylbenzene-1,2-dicarbonitrile
CID 141298423
3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile
CID 103912018
3-[(2-cyano-3-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114421

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile (CID 107119999) is 2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile is N#Cc1cccc(CS(=O)(=O)c2ccccc2F)c1F.
What is the InChIKey of 2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile?
The InChIKey is NVEVNXQWFZLGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2S/c15-12-6-1-2-7-13(12)20(18,19)9-11-5-3-4-10(8-17)14(11)16/h1-7H,9H2.
What are the key properties of 2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile?
2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile has a molecular weight of 293.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile is sourced from PubChem (CID 107119999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).