3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide

C8H5ClFN3OS2 — CID 123933469

IUPAC3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide
SMILESO=S(Nc1ncns1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H5ClFN3OS2/c9-6-3-5(1-2-7(6)10)16(14)13-8-11-4-12-15-8/h1-4H,(H,11,12,13)
InChIKeyZJIGLEGJRARAMZ-UHFFFAOYSA-N
MW277.73 g/mol
LogP2.47
Rot. Bonds3

About 3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide

3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide (PubChem CID 123933469) has the molecular formula C8H5ClFN3OS2 and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide
PubChem CID123933469
Molecular FormulaC8H5ClFN3OS2
Molecular Weight277.73 g/mol
Exact Mass276.95
IUPAC Name3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide
SMILESO=S(Nc1ncns1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H5ClFN3OS2/c9-6-3-5(1-2-7(6)10)16(14)13-8-11-4-12-15-8/h1-4H,(H,11,12,13)
InChIKeyZJIGLEGJRARAMZ-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide?
The IUPAC name of 3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide (CID 123933469) is 3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide is O=S(Nc1ncns1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide?
The InChIKey is ZJIGLEGJRARAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3OS2/c9-6-3-5(1-2-7(6)10)16(14)13-8-11-4-12-15-8/h1-4H,(H,11,12,13).
What are the key properties of 3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide?
3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide has a molecular weight of 277.73 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfinamide is sourced from PubChem (CID 123933469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).