[S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite

C4H4F3N3O2S2 — CID 20705451

IUPAC[S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite
SMILESCc1nnc(N=S(=O)(OF)C(F)F)s1
InChIInChI=1S/C4H4F3N3O2S2/c1-2-8-9-4(13-2)10-14(11,12-7)3(5)6/h3H,1H3
InChIKeySATYWKVBZAZUFO-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.98
Rot. Bonds3

About [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite

[S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite (PubChem CID 20705451) has the molecular formula C4H4F3N3O2S2 and a molecular weight of 247.22 g/mol. Its IUPAC name is [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite
PubChem CID20705451
Molecular FormulaC4H4F3N3O2S2
Molecular Weight247.22 g/mol
Exact Mass246.97
IUPAC Name[S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite
SMILESCc1nnc(N=S(=O)(OF)C(F)F)s1
InChIInChI=1S/C4H4F3N3O2S2/c1-2-8-9-4(13-2)10-14(11,12-7)3(5)6/h3H,1H3
InChIKeySATYWKVBZAZUFO-UHFFFAOYSA-N
XLogP1.98
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite?
The IUPAC name of [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite (CID 20705451) is [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite.
What is the SMILES notation for [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite?
The canonical SMILES for [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite is Cc1nnc(N=S(=O)(OF)C(F)F)s1.
What is the InChIKey of [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite?
The InChIKey is SATYWKVBZAZUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O2S2/c1-2-8-9-4(13-2)10-14(11,12-7)3(5)6/h3H,1H3.
What are the key properties of [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite?
[S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite has a molecular weight of 247.22 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).