2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile

C14H10FNO2S — CID 10683774

IUPAC2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile
SMILESCc1ccccc1S(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H10FNO2S/c1-10-5-2-3-7-13(10)19(17,18)14-8-4-6-12(15)11(14)9-16/h2-8H,1H3
InChIKeyFJAAFKQPKONYSR-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.84
Rot. Bonds2

About 2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile

2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile (PubChem CID 10683774) has the molecular formula C14H10FNO2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile
PubChem CID10683774
Molecular FormulaC14H10FNO2S
Molecular Weight275.30 g/mol
Exact Mass275.04
IUPAC Name2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile
SMILESCc1ccccc1S(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H10FNO2S/c1-10-5-2-3-7-13(10)19(17,18)14-8-4-6-12(15)11(14)9-16/h2-8H,1H3
InChIKeyFJAAFKQPKONYSR-UHFFFAOYSA-N
XLogP2.84
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Methylsulfonyl)benzonitrile
CID 519981
4,4'-Sulfonylbis(benzonitrile)
CID 22963
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
2-[(3,5-Dimethylphenyl)sulfonyl]-6-fluorobenzenecarbonitrile
CID 486357
(Z)-2-(benzenesulfonyl)-3-(4-fluorophenyl)prop-2-enenitrile
CID 1669174
4-(Trifluoromethylsulphonyl)benzonitrile
CID 2777824
Dibenzo[b,f]thiepine-10-carbonitrile
CID 826353
4-(Benzenesulfonylmethyl)benzonitrile
CID 9548464
1-Fluoro-2-(2-methylsulfonylphenyl)benzene
CID 69584348
4-Fluoro-1-(methanesulfonyl)-2-methylbenzene
CID 2761065
2-(4-Fluorophenyl)sulfonyl-1,3,5-trimethylbenzene
CID 284323
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile?
The IUPAC name of 2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile (CID 10683774) is 2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile.
What is the SMILES notation for 2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile?
The canonical SMILES for 2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile is Cc1ccccc1S(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of 2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile?
The InChIKey is FJAAFKQPKONYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2S/c1-10-5-2-3-7-13(10)19(17,18)14-8-4-6-12(15)11(14)9-16/h2-8H,1H3.
What are the key properties of 2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile?
2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile has a molecular weight of 275.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile is sourced from PubChem (CID 10683774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).