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

C8H5F2N3O2S2 — CID 5157163

IUPAC3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(F)c(F)c1
InChIInChI=1S/C8H5F2N3O2S2/c9-6-2-1-5(3-7(6)10)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13)
InChIKeyNWBZFTMLFKIYTE-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.62
Rot. Bonds3

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

3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 5157163) has the molecular formula C8H5F2N3O2S2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID5157163
Molecular FormulaC8H5F2N3O2S2
Molecular Weight277.28 g/mol
Exact Mass276.98
IUPAC Name3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(F)c(F)c1
InChIInChI=1S/C8H5F2N3O2S2/c9-6-2-1-5(3-7(6)10)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13)
InChIKeyNWBZFTMLFKIYTE-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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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 5157163) is 3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is NWBZFTMLFKIYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2S2/c9-6-2-1-5(3-7(6)10)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13).
What are the key properties of 3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
3,4-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 3,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 5157163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).