2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide

C12H8BrF2NO2S — CID 47257466

IUPAC2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1ccc(F)cc1Br
InChIInChI=1S/C12H8BrF2NO2S/c13-11-7-9(15)4-5-12(11)19(17,18)16-10-3-1-2-8(14)6-10/h1-7,16H
InChIKeyXSRNLTRCSVTHOP-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.53
Rot. Bonds3

About 2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide

2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide (PubChem CID 47257466) has the molecular formula C12H8BrF2NO2S and a molecular weight of 348.17 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
PubChem CID47257466
Molecular FormulaC12H8BrF2NO2S
Molecular Weight348.17 g/mol
Exact Mass346.94
IUPAC Name2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(F)c1)c1ccc(F)cc1Br
InChIInChI=1S/C12H8BrF2NO2S/c13-11-7-9(15)4-5-12(11)19(17,18)16-10-3-1-2-8(14)6-10/h1-7,16H
InChIKeyXSRNLTRCSVTHOP-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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Related Compounds

2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide
CID 43257495
2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060604
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide (CID 47257466) is 2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(F)c1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The InChIKey is XSRNLTRCSVTHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2S/c13-11-7-9(15)4-5-12(11)19(17,18)16-10-3-1-2-8(14)6-10/h1-7,16H.
What are the key properties of 2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(3-fluorophenyl)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 2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 47257466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).