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

C4H4F3N3O2S — CID 146570733

IUPAC1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide
SMILESNS(=O)(=O)c1nn(C(F)F)cc1F
InChIInChI=1S/C4H4F3N3O2S/c5-2-1-10(4(6)7)9-3(2)13(8,11)12/h1,4H,(H2,8,11,12)
InChIKeyNUNDPGIJHHQIMD-UHFFFAOYSA-N
MW215.16 g/mol
LogP0.06
Rot. Bonds2

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

1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide (PubChem CID 146570733) has the molecular formula C4H4F3N3O2S and a molecular weight of 215.16 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide
PubChem CID146570733
Molecular FormulaC4H4F3N3O2S
Molecular Weight215.16 g/mol
Exact Mass215.00
IUPAC Name1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide
SMILESNS(=O)(=O)c1nn(C(F)F)cc1F
InChIInChI=1S/C4H4F3N3O2S/c5-2-1-10(4(6)7)9-3(2)13(8,11)12/h1,4H,(H2,8,11,12)
InChIKeyNUNDPGIJHHQIMD-UHFFFAOYSA-N
XLogP0.06
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide (CID 146570733) is 1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide is NS(=O)(=O)c1nn(C(F)F)cc1F.
What is the InChIKey of 1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide?
The InChIKey is NUNDPGIJHHQIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O2S/c5-2-1-10(4(6)7)9-3(2)13(8,11)12/h1,4H,(H2,8,11,12).
What are the key properties of 1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide?
1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide has a molecular weight of 215.16 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide is sourced from PubChem (CID 146570733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).