3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide

C12H8BrF2NO2S — CID 4816743

IUPAC3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C12H8BrF2NO2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-7-9(14)4-5-11(12)15/h1-7,16H
InChIKeyYFMRHKOKBQKKQQ-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.53
Rot. Bonds3

About 3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide

3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide (PubChem CID 4816743) has the molecular formula C12H8BrF2NO2S and a molecular weight of 348.17 g/mol. Its IUPAC name is 3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide
PubChem CID4816743
Molecular FormulaC12H8BrF2NO2S
Molecular Weight348.17 g/mol
Exact Mass346.94
IUPAC Name3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C12H8BrF2NO2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-7-9(14)4-5-11(12)15/h1-7,16H
InChIKeyYFMRHKOKBQKKQQ-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 3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide (CID 4816743) is 3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(F)ccc1F)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide?
The InChIKey is YFMRHKOKBQKKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-7-9(14)4-5-11(12)15/h1-7,16H.
What are the key properties of 3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide?
3-bromo-N-(2,5-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 3-bromo-N-(2,5-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 4816743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).