2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile

C13H7BrFNO2S — CID 10759557

IUPAC2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H7BrFNO2S/c14-9-3-1-4-10(7-9)19(17,18)13-6-2-5-12(15)11(13)8-16/h1-7H
InChIKeyVGNZYNJSXLZRGN-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.29
Rot. Bonds2

About 2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile

2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile (PubChem CID 10759557) has the molecular formula C13H7BrFNO2S and a molecular weight of 340.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile
PubChem CID10759557
Molecular FormulaC13H7BrFNO2S
Molecular Weight340.17 g/mol
Exact Mass338.94
IUPAC Name2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C13H7BrFNO2S/c14-9-3-1-4-10(7-9)19(17,18)13-6-2-5-12(15)11(13)8-16/h1-7H
InChIKeyVGNZYNJSXLZRGN-UHFFFAOYSA-N
XLogP3.29
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile?
The IUPAC name of 2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile (CID 10759557) is 2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile.
What is the SMILES notation for 2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile?
The canonical SMILES for 2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile is N#Cc1c(F)cccc1S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile?
The InChIKey is VGNZYNJSXLZRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFNO2S/c14-9-3-1-4-10(7-9)19(17,18)13-6-2-5-12(15)11(13)8-16/h1-7H.
What are the key properties of 2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile?
2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile has a molecular weight of 340.17 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfonyl-6-fluorobenzonitrile is sourced from PubChem (CID 10759557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).