1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide

C5H7F2N3O2S — CID 63821162

IUPAC1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)C(F)F)n[nH]1
InChIInChI=1S/C5H7F2N3O2S/c1-3-2-4(9-8-3)10-13(11,12)5(6)7/h2,5H,1H3,(H2,8,9,10)
InChIKeyDGEIVIHHPRGTRY-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.68
Rot. Bonds3

About 1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide

1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 63821162) has the molecular formula C5H7F2N3O2S and a molecular weight of 211.19 g/mol. Its IUPAC name is 1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID63821162
Molecular FormulaC5H7F2N3O2S
Molecular Weight211.19 g/mol
Exact Mass211.02
IUPAC Name1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)C(F)F)n[nH]1
InChIInChI=1S/C5H7F2N3O2S/c1-3-2-4(9-8-3)10-13(11,12)5(6)7/h2,5H,1H3,(H2,8,9,10)
InChIKeyDGEIVIHHPRGTRY-UHFFFAOYSA-N
XLogP0.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide (CID 63821162) is 1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide is Cc1cc(NS(=O)(=O)C(F)F)n[nH]1.
What is the InChIKey of 1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is DGEIVIHHPRGTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O2S/c1-3-2-4(9-8-3)10-13(11,12)5(6)7/h2,5H,1H3,(H2,8,9,10).
What are the key properties of 1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide?
1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 211.19 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 63821162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).