3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide

C11H8BrFN2O2S — CID 71991673

IUPAC3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H8BrFN2O2S/c12-10-6-9(3-4-11(10)13)18(16,17)15-8-2-1-5-14-7-8/h1-7,15H
InChIKeyHSVWVUOPIHOZHP-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.78
Rot. Bonds3

About 3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide

3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 71991673) has the molecular formula C11H8BrFN2O2S and a molecular weight of 331.17 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
PubChem CID71991673
Molecular FormulaC11H8BrFN2O2S
Molecular Weight331.17 g/mol
Exact Mass329.95
IUPAC Name3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H8BrFN2O2S/c12-10-6-9(3-4-11(10)13)18(16,17)15-8-2-1-5-14-7-8/h1-7,15H
InChIKeyHSVWVUOPIHOZHP-UHFFFAOYSA-N
XLogP2.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 29034135
4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 116529293
4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033343
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
4-amino-3-bromo-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775504
4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 43217817
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
6-oxo-N-pyridin-3-yl-1H-pyridine-3-sulfonamide
CID 43629054
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide (CID 71991673) is 3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is HSVWVUOPIHOZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2S/c12-10-6-9(3-4-11(10)13)18(16,17)15-8-2-1-5-14-7-8/h1-7,15H.
What are the key properties of 3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide?
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 331.17 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 71991673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).