4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C13H9FN4O2S2 — CID 35523682

IUPAC4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccncc2)s1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN4O2S2/c14-10-1-3-11(4-2-10)22(19,20)18-13-17-16-12(21-13)9-5-7-15-8-6-9/h1-8H,(H,17,18)
InChIKeyHTTMRLQGJVBTPP-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.54
Rot. Bonds4

About 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 35523682) has the molecular formula C13H9FN4O2S2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID35523682
Molecular FormulaC13H9FN4O2S2
Molecular Weight336.37 g/mol
Exact Mass336.02
IUPAC Name4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccncc2)s1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN4O2S2/c14-10-1-3-11(4-2-10)22(19,20)18-13-17-16-12(21-13)9-5-7-15-8-6-9/h1-8H,(H,17,18)
InChIKeyHTTMRLQGJVBTPP-UHFFFAOYSA-N
XLogP2.54
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 35523682) is 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nnc(-c2ccncc2)s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is HTTMRLQGJVBTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2S2/c14-10-1-3-11(4-2-10)22(19,20)18-13-17-16-12(21-13)9-5-7-15-8-6-9/h1-8H,(H,17,18).
What are the key properties of 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 35523682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).