2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile

C14H10FNO2S — CID 134837124

IUPAC2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H10FNO2S/c15-12-8-4-5-9-13(12)19(17,18)14(10-16)11-6-2-1-3-7-11/h1-9,14H
InChIKeyHNLKHQORJKWAAR-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.86
Rot. Bonds3

About 2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile

2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile (PubChem CID 134837124) has the molecular formula C14H10FNO2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile
PubChem CID134837124
Molecular FormulaC14H10FNO2S
Molecular Weight275.30 g/mol
Exact Mass275.04
IUPAC Name2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H10FNO2S/c15-12-8-4-5-9-13(12)19(17,18)14(10-16)11-6-2-1-3-7-11/h1-9,14H
InChIKeyHNLKHQORJKWAAR-UHFFFAOYSA-N
XLogP2.86
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile (CID 134837124) is 2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile is N#CC(c1ccccc1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile?
The InChIKey is HNLKHQORJKWAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2S/c15-12-8-4-5-9-13(12)19(17,18)14(10-16)11-6-2-1-3-7-11/h1-9,14H.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile?
2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile has a molecular weight of 275.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-2-phenylacetonitrile is sourced from PubChem (CID 134837124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).