3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide

C12H12FN3O2S — CID 55221973

IUPAC3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide
SMILESNS(=O)(=O)c1cc(C2CC2)nn1-c1ccccc1F
InChIInChI=1S/C12H12FN3O2S/c13-9-3-1-2-4-11(9)16-12(19(14,17)18)7-10(15-16)8-5-6-8/h1-4,7-8H,5-6H2,(H2,14,17,18)
InChIKeyGKDLEGCAYLGJJE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.54
Rot. Bonds3

About 3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide

3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide (PubChem CID 55221973) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide
PubChem CID55221973
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide
SMILESNS(=O)(=O)c1cc(C2CC2)nn1-c1ccccc1F
InChIInChI=1S/C12H12FN3O2S/c13-9-3-1-2-4-11(9)16-12(19(14,17)18)7-10(15-16)8-5-6-8/h1-4,7-8H,5-6H2,(H2,14,17,18)
InChIKeyGKDLEGCAYLGJJE-UHFFFAOYSA-N
XLogP1.54
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide?
The IUPAC name of 3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide (CID 55221973) is 3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide?
The canonical SMILES for 3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide is NS(=O)(=O)c1cc(C2CC2)nn1-c1ccccc1F.
What is the InChIKey of 3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide?
The InChIKey is GKDLEGCAYLGJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c13-9-3-1-2-4-11(9)16-12(19(14,17)18)7-10(15-16)8-5-6-8/h1-4,7-8H,5-6H2,(H2,14,17,18).
What are the key properties of 3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide?
3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide has a molecular weight of 281.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-fluorophenyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 55221973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).