3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole

C4H5F3N4OS — CID 146618304

IUPAC3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole
SMILES[H]N=S(N)(=O)c1nn(C(F)F)cc1F
InChIInChI=1S/C4H5F3N4OS/c5-2-1-11(4(6)7)10-3(2)13(8,9)12/h1,4H,(H3,8,9,12)
InChIKeyWMMNQJTUXGBDEE-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.70
Rot. Bonds2

About 3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole

3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole (PubChem CID 146618304) has the molecular formula C4H5F3N4OS and a molecular weight of 214.17 g/mol. Its IUPAC name is 3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole.

Molecular Properties

Compound Name3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole
PubChem CID146618304
Molecular FormulaC4H5F3N4OS
Molecular Weight214.17 g/mol
Exact Mass214.01
IUPAC Name3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole
SMILES[H]N=S(N)(=O)c1nn(C(F)F)cc1F
InChIInChI=1S/C4H5F3N4OS/c5-2-1-11(4(6)7)10-3(2)13(8,9)12/h1,4H,(H3,8,9,12)
InChIKeyWMMNQJTUXGBDEE-UHFFFAOYSA-N
XLogP0.70
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole?
The IUPAC name of 3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole (CID 146618304) is 3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole.
What is the SMILES notation for 3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole?
The canonical SMILES for 3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole is [H]N=S(N)(=O)c1nn(C(F)F)cc1F.
What is the InChIKey of 3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole?
The InChIKey is WMMNQJTUXGBDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N4OS/c5-2-1-11(4(6)7)10-3(2)13(8,9)12/h1,4H,(H3,8,9,12).
What are the key properties of 3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole?
3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole has a molecular weight of 214.17 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminosulfonimidoyl)-1-(difluoromethyl)-4-fluoropyrazole is sourced from PubChem (CID 146618304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).