4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide

C8H6FN3O2S2 — CID 114912129

IUPAC4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnns1)c1ccc(F)cc1
InChIInChI=1S/C8H6FN3O2S2/c9-6-1-3-7(4-2-6)16(13,14)11-8-5-10-12-15-8/h1-5,11H
InChIKeyVOSBYTSPPSKFPF-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.48
Rot. Bonds3

About 4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide

4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide (PubChem CID 114912129) has the molecular formula C8H6FN3O2S2 and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide
PubChem CID114912129
Molecular FormulaC8H6FN3O2S2
Molecular Weight259.29 g/mol
Exact Mass258.99
IUPAC Name4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnns1)c1ccc(F)cc1
InChIInChI=1S/C8H6FN3O2S2/c9-6-1-3-7(4-2-6)16(13,14)11-8-5-10-12-15-8/h1-5,11H
InChIKeyVOSBYTSPPSKFPF-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 4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide (CID 114912129) is 4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1cnns1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is VOSBYTSPPSKFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2S2/c9-6-1-3-7(4-2-6)16(13,14)11-8-5-10-12-15-8/h1-5,11H.
What are the key properties of 4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide?
4-fluoro-N-(thiadiazol-5-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 4-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114912129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).