5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide

C11H7FN4O2S3 — CID 84588436

IUPAC5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cncc(F)c1
InChIInChI=1S/C11H7FN4O2S3/c12-8-3-9(5-13-4-8)21(17,18)16-11-15-14-10(20-11)7-1-2-19-6-7/h1-6H,(H,15,16)
InChIKeyQAKKEFOSSLZBGW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.60
Rot. Bonds4

About 5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide

5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 84588436) has the molecular formula C11H7FN4O2S3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
PubChem CID84588436
Molecular FormulaC11H7FN4O2S3
Molecular Weight342.40 g/mol
Exact Mass341.97
IUPAC Name5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cncc(F)c1
InChIInChI=1S/C11H7FN4O2S3/c12-8-3-9(5-13-4-8)21(17,18)16-11-15-14-10(20-11)7-1-2-19-6-7/h1-6H,(H,15,16)
InChIKeyQAKKEFOSSLZBGW-UHFFFAOYSA-N
XLogP2.60
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (CID 84588436) is 5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is QAKKEFOSSLZBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O2S3/c12-8-3-9(5-13-4-8)21(17,18)16-11-15-14-10(20-11)7-1-2-19-6-7/h1-6H,(H,15,16).
What are the key properties of 5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 342.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 84588436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).