3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide

C6H4FN5O2S2 — CID 103300535

IUPAC3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1nnns1)c1ncccc1F
InChIInChI=1S/C6H4FN5O2S2/c7-4-2-1-3-8-5(4)16(13,14)10-6-9-11-12-15-6/h1-3H,(H,9,10,12)
InChIKeyUNQLKKMVDZELOE-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.27
Rot. Bonds3

About 3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide

3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide (PubChem CID 103300535) has the molecular formula C6H4FN5O2S2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide
PubChem CID103300535
Molecular FormulaC6H4FN5O2S2
Molecular Weight261.26 g/mol
Exact Mass260.98
IUPAC Name3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1nnns1)c1ncccc1F
InChIInChI=1S/C6H4FN5O2S2/c7-4-2-1-3-8-5(4)16(13,14)10-6-9-11-12-15-6/h1-3H,(H,9,10,12)
InChIKeyUNQLKKMVDZELOE-UHFFFAOYSA-N
XLogP0.27
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Fluoropyridine-2-sulfonamide
CID 19957930
5-Fluoropyridine-2-sulfonamide
CID 61727849
4-Fluoropyridine-2-sulfonamide
CID 137951521
2-Pyrrol-1-ylsulfonylpyridine
CID 44239368
2-Pyridinesulfonyl azide
CID 12173683
5-fluoro-N-methylpyridine-2-sulfonamide
CID 146509267
N-[(5-fluoro-2-pyridinyl)sulfonyl]-N-(methylamino)methanimidamide
CID 176937888
4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35523682
5-fluoro-N-(2H-tetrazol-5-ylmethyl)pyridine-3-sulfonamide
CID 61854591
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-fluoropyridine-2-sulfonamide
CID 103298527
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide
CID 103298532
2-[[5-[(3-Fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 103298753

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide (CID 103300535) is 3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide is O=S(=O)(Nc1nnns1)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is UNQLKKMVDZELOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN5O2S2/c7-4-2-1-3-8-5(4)16(13,14)10-6-9-11-12-15-6/h1-3H,(H,9,10,12).
What are the key properties of 3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide?
3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 261.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 103300535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).