5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide

C7H9F4N3O2S — CID 106293627

IUPAC5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H9F4N3O2S/c1-4-5(2-12-14-4)17(15,16)13-3-7(10,11)6(8)9/h2,6,13H,3H2,1H3,(H,12,14)
InChIKeyFCFFGIFIXHCFTA-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.90
Rot. Bonds5

About 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106293627) has the molecular formula C7H9F4N3O2S and a molecular weight of 275.23 g/mol. Its IUPAC name is 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide
PubChem CID106293627
Molecular FormulaC7H9F4N3O2S
Molecular Weight275.23 g/mol
Exact Mass275.04
IUPAC Name5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H9F4N3O2S/c1-4-5(2-12-14-4)17(15,16)13-3-7(10,11)6(8)9/h2,6,13H,3H2,1H3,(H,12,14)
InChIKeyFCFFGIFIXHCFTA-UHFFFAOYSA-N
XLogP0.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide (CID 106293627) is 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is FCFFGIFIXHCFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N3O2S/c1-4-5(2-12-14-4)17(15,16)13-3-7(10,11)6(8)9/h2,6,13H,3H2,1H3,(H,12,14).
What are the key properties of 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 275.23 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106293627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).