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

C8H6FN3O2S2 — CID 43453689

IUPAC2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccccc1F
InChIInChI=1S/C8H6FN3O2S2/c9-6-3-1-2-4-7(6)16(13,14)12-8-11-10-5-15-8/h1-5H,(H,11,12)
InChIKeyQGCRSAOFQIUHQG-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.48
Rot. Bonds3

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

2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 43453689) has the molecular formula C8H6FN3O2S2 and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID43453689
Molecular FormulaC8H6FN3O2S2
Molecular Weight259.29 g/mol
Exact Mass258.99
IUPAC Name2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccccc1F
InChIInChI=1S/C8H6FN3O2S2/c9-6-3-1-2-4-7(6)16(13,14)12-8-11-10-5-15-8/h1-5H,(H,11,12)
InChIKeyQGCRSAOFQIUHQG-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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Related Compounds

Benzolamide
CID 18794
N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 871955
5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,4]thiadiazole-2-sulfonic acid amide
CID 10430595
4-Methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 563671
N-(5-Amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 15131168
[(4-Fluorophenyl)sulfonyl][5-(2-methoxyethylthio)(1,3,4-thiadiazol-2-yl)]amine
CID 3158261
4-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1312069
4-butyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 53323734
N-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1320903
4-bromo-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide
CID 5049984
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787282
N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}benzenesulfonamide
CID 1964445

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 43453689) is 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is QGCRSAOFQIUHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2S2/c9-6-3-1-2-4-7(6)16(13,14)12-8-11-10-5-15-8/h1-5H,(H,11,12).
What are the key properties of 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-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 2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 43453689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).