N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide

C7H10F3N3O2S — CID 56793533

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C7H10F3N3O2S/c1-2-16(14,15)12-6-3-11-13(4-6)5-7(8,9)10/h3-4,12H,2,5H2,1H3
InChIKeyMPDRPLMVOFTDDH-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.21
Rot. Bonds4

About N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide

N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide (PubChem CID 56793533) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide
PubChem CID56793533
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C7H10F3N3O2S/c1-2-16(14,15)12-6-3-11-13(4-6)5-7(8,9)10/h3-4,12H,2,5H2,1H3
InChIKeyMPDRPLMVOFTDDH-UHFFFAOYSA-N
XLogP1.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide (CID 56793533) is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide?
The InChIKey is MPDRPLMVOFTDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c1-2-16(14,15)12-6-3-11-13(4-6)5-7(8,9)10/h3-4,12H,2,5H2,1H3.
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide?
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide has a molecular weight of 257.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 56793533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).