2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C8H5F2N3O2S2 — CID 163353225

IUPAC2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1c(F)cccc1F
InChIInChI=1S/C8H5F2N3O2S2/c9-5-2-1-3-6(10)7(5)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13)
InChIKeyYSGDEMBIALJGNK-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.62
Rot. Bonds3

About 2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 163353225) has the molecular formula C8H5F2N3O2S2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID163353225
Molecular FormulaC8H5F2N3O2S2
Molecular Weight277.28 g/mol
Exact Mass276.98
IUPAC Name2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1c(F)cccc1F
InChIInChI=1S/C8H5F2N3O2S2/c9-5-2-1-3-6(10)7(5)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13)
InChIKeyYSGDEMBIALJGNK-UHFFFAOYSA-N
XLogP1.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(5-Amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 15131168
4-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1312069
N-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1320903
N-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-4-fluorobenzene-1-sulfonamide
CID 135347485
5-[(4-Fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
CID 394906
4-fluoro-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 837016
4-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 81583389
2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide
CID 43453689
2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824852
3-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 66905418

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 163353225) is 2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is YSGDEMBIALJGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2S2/c9-5-2-1-3-6(10)7(5)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13).
What are the key properties of 2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 277.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 163353225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).