1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide

C10H11F2N5O2S — CID 99802705

IUPAC1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCN(c1cnccn1)S(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H11F2N5O2S/c1-16(10-5-13-2-3-14-10)20(18,19)8-4-15-17(6-8)7-9(11)12/h2-6,9H,7H2,1H3
InChIKeyORCIJZAAFIABQL-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.76
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide

1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (PubChem CID 99802705) has the molecular formula C10H11F2N5O2S and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
PubChem CID99802705
Molecular FormulaC10H11F2N5O2S
Molecular Weight303.29 g/mol
Exact Mass303.06
IUPAC Name1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCN(c1cnccn1)S(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H11F2N5O2S/c1-16(10-5-13-2-3-14-10)20(18,19)8-4-15-17(6-8)7-9(11)12/h2-6,9H,7H2,1H3
InChIKeyORCIJZAAFIABQL-UHFFFAOYSA-N
XLogP0.76
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (CID 99802705) is 1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is CN(c1cnccn1)S(=O)(=O)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The InChIKey is ORCIJZAAFIABQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5O2S/c1-16(10-5-13-2-3-14-10)20(18,19)8-4-15-17(6-8)7-9(11)12/h2-6,9H,7H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide has a molecular weight of 303.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 99802705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).