3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C8H6FN3O2S2 — CID 71846051

IUPAC3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cccc(F)c1
InChIInChI=1S/C8H6FN3O2S2/c9-6-2-1-3-7(4-6)16(13,14)12-8-11-10-5-15-8/h1-5H,(H,11,12)
InChIKeyJTTBRAGQWSVEMU-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.48
Rot. Bonds3

About 3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 71846051) has the molecular formula C8H6FN3O2S2 and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID71846051
Molecular FormulaC8H6FN3O2S2
Molecular Weight259.29 g/mol
Exact Mass258.99
IUPAC Name3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cccc(F)c1
InChIInChI=1S/C8H6FN3O2S2/c9-6-2-1-3-7(4-6)16(13,14)12-8-11-10-5-15-8/h1-5H,(H,11,12)
InChIKeyJTTBRAGQWSVEMU-UHFFFAOYSA-N
XLogP1.48
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 71846051) is 3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is JTTBRAGQWSVEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2S2/c9-6-2-1-3-7(4-6)16(13,14)12-8-11-10-5-15-8/h1-5H,(H,11,12).
What are the key properties of 3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 259.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71846051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).