3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide

C11H8BrFN2O2S — CID 103943790

IUPAC3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1cccc(Br)c1
InChIInChI=1S/C11H8BrFN2O2S/c12-8-2-1-3-9(6-8)18(16,17)15-11-4-5-14-7-10(11)13/h1-7H,(H,14,15)
InChIKeyPSVAXJUCKVLOFQ-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.78
Rot. Bonds3

About 3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide

3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (PubChem CID 103943790) has the molecular formula C11H8BrFN2O2S and a molecular weight of 331.17 g/mol. Its IUPAC name is 3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
PubChem CID103943790
Molecular FormulaC11H8BrFN2O2S
Molecular Weight331.17 g/mol
Exact Mass329.95
IUPAC Name3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1cccc(Br)c1
InChIInChI=1S/C11H8BrFN2O2S/c12-8-2-1-3-9(6-8)18(16,17)15-11-4-5-14-7-10(11)13/h1-7H,(H,14,15)
InChIKeyPSVAXJUCKVLOFQ-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

5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106090021
3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107595189
4-bromo-N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 86796625
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107594699
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
4-amino-N-(3-bromo-4-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844736
3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
CID 107594685
4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103862771

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (CID 103943790) is 3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccncc1F)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The InChIKey is PSVAXJUCKVLOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2S/c12-8-2-1-3-9(6-8)18(16,17)15-11-4-5-14-7-10(11)13/h1-7H,(H,14,15).
What are the key properties of 3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide 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-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 103943790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).