1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C5H6F3N3O2S — CID 81339718

IUPAC1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)3-11-2-4(1-10-11)14(9,12)13/h1-2H,3H2,(H2,9,12,13)
InChIKeyPVRPNCDZWCAQNK-UHFFFAOYSA-N
MW229.18 g/mol
LogP0.09
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 81339718) has the molecular formula C5H6F3N3O2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID81339718
Molecular FormulaC5H6F3N3O2S
Molecular Weight229.18 g/mol
Exact Mass229.01
IUPAC Name1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)3-11-2-4(1-10-11)14(9,12)13/h1-2H,3H2,(H2,9,12,13)
InChIKeyPVRPNCDZWCAQNK-UHFFFAOYSA-N
XLogP0.09
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 81339718) is 1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is PVRPNCDZWCAQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2S/c6-5(7,8)3-11-2-4(1-10-11)14(9,12)13/h1-2H,3H2,(H2,9,12,13).
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 229.18 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 81339718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).