2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide

C11H6BrF3N2O2S — CID 103775763

IUPAC2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)nc1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H6BrF3N2O2S/c12-8-3-6(13)4-9(14)11(8)20(18,19)17-7-1-2-10(15)16-5-7/h1-5,17H
InChIKeyNYFLPBROEYQGEU-UHFFFAOYSA-N
MW367.15 g/mol
LogP3.06
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide (PubChem CID 103775763) has the molecular formula C11H6BrF3N2O2S and a molecular weight of 367.15 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
PubChem CID103775763
Molecular FormulaC11H6BrF3N2O2S
Molecular Weight367.15 g/mol
Exact Mass365.93
IUPAC Name2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)nc1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H6BrF3N2O2S/c12-8-3-6(13)4-9(14)11(8)20(18,19)17-7-1-2-10(15)16-5-7/h1-5,17H
InChIKeyNYFLPBROEYQGEU-UHFFFAOYSA-N
XLogP3.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 40645404
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704
4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25342673
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 60640704
2-bromo-N-(2,5-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 63422484
2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79044269
2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394148
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237176
2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83022882
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775753

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide (CID 103775763) is 2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)nc1)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
The InChIKey is NYFLPBROEYQGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N2O2S/c12-8-3-6(13)4-9(14)11(8)20(18,19)17-7-1-2-10(15)16-5-7/h1-5,17H.
What are the key properties of 2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide has a molecular weight of 367.15 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 103775763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).