4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide

C12H8BrF2NO2S — CID 970063

IUPAC4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrF2NO2S/c13-8-4-6-9(7-5-8)19(17,18)16-12-10(14)2-1-3-11(12)15/h1-7,16H
InChIKeyGHFNAVYZBQOPFF-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.53
Rot. Bonds3

About 4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide

4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide (PubChem CID 970063) has the molecular formula C12H8BrF2NO2S and a molecular weight of 348.17 g/mol. Its IUPAC name is 4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
PubChem CID970063
Molecular FormulaC12H8BrF2NO2S
Molecular Weight348.17 g/mol
Exact Mass346.94
IUPAC Name4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(F)cccc1F)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrF2NO2S/c13-8-4-6-9(7-5-8)19(17,18)16-12-10(14)2-1-3-11(12)15/h1-7,16H
InChIKeyGHFNAVYZBQOPFF-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide (CID 970063) is 4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1c(F)cccc1F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide?
The InChIKey is GHFNAVYZBQOPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2S/c13-8-4-6-9(7-5-8)19(17,18)16-12-10(14)2-1-3-11(12)15/h1-7,16H.
What are the key properties of 4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide?
4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide has a molecular weight of 348.17 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 970063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).