4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide

C7H4BrFN4O2S2 — CID 107650398

IUPAC4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnns1)c1ccc(Br)c(F)c1
InChIInChI=1S/C7H4BrFN4O2S2/c8-5-2-1-4(3-6(5)9)17(14,15)11-7-10-12-13-16-7/h1-3H,(H,10,11,13)
InChIKeyKAPYXULLCVHLBL-UHFFFAOYSA-N
MW339.17 g/mol
LogP1.64
Rot. Bonds3

About 4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide

4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide (PubChem CID 107650398) has the molecular formula C7H4BrFN4O2S2 and a molecular weight of 339.17 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
PubChem CID107650398
Molecular FormulaC7H4BrFN4O2S2
Molecular Weight339.17 g/mol
Exact Mass337.89
IUPAC Name4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnns1)c1ccc(Br)c(F)c1
InChIInChI=1S/C7H4BrFN4O2S2/c8-5-2-1-4(3-6(5)9)17(14,15)11-7-10-12-13-16-7/h1-3H,(H,10,11,13)
InChIKeyKAPYXULLCVHLBL-UHFFFAOYSA-N
XLogP1.64
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide (CID 107650398) is 4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1nnns1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide?
The InChIKey is KAPYXULLCVHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN4O2S2/c8-5-2-1-4(3-6(5)9)17(14,15)11-7-10-12-13-16-7/h1-3H,(H,10,11,13).
What are the key properties of 4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide?
4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide has a molecular weight of 339.17 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 107650398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).