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

C8H12F3N3O3S — CID 95741342

IUPAC2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3O3S/c1-17-2-3-18(15,16)13-7-4-12-14(5-7)6-8(9,10)11/h4-5,13H,2-3,6H2,1H3
InChIKeyPGXULEVADFPMNT-UHFFFAOYSA-N
MW287.26 g/mol
LogP0.83
Rot. Bonds6

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

2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide (PubChem CID 95741342) has the molecular formula C8H12F3N3O3S and a molecular weight of 287.26 g/mol. Its IUPAC name is 2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide
PubChem CID95741342
Molecular FormulaC8H12F3N3O3S
Molecular Weight287.26 g/mol
Exact Mass287.06
IUPAC Name2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3O3S/c1-17-2-3-18(15,16)13-7-4-12-14(5-7)6-8(9,10)11/h4-5,13H,2-3,6H2,1H3
InChIKeyPGXULEVADFPMNT-UHFFFAOYSA-N
XLogP0.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-(oxan-2-yl)methanesulfonamide
CID 72003875
N-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)methanesulfonamide
CID 72003887
1-[2-(ethanesulfonyl)ethyl]-1H-pyrazol-4-amine
CID 43807774
2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 71875451
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide
CID 97428228
N-[1-(difluoromethyl)pyrazol-4-yl]ethanesulfonamide
CID 156508165
[2-(1-Cyclopropylpyrazol-4-yl)-1,1-dioxo-5,6-dihydrothiazin-4-yl] trifluoromethanesulfonate
CID 170983802
Methyl 2-[4-(difluoromethylsulfonylamino)pyrazol-1-yl]acetate
CID 54903921
Methyl 2-[4-(trifluoromethylsulfonylamino)pyrazol-1-yl]acetate
CID 54903956
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide
CID 56793533
1-[3-(2,2,2-trifluoroethoxy)propyl]-1H-pyrazol-4-amine
CID 61491199
2-cyclopropyl-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanesulfonamide
CID 71908714

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide (CID 95741342) is 2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide is COCCS(=O)(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide?
The InChIKey is PGXULEVADFPMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O3S/c1-17-2-3-18(15,16)13-7-4-12-14(5-7)6-8(9,10)11/h4-5,13H,2-3,6H2,1H3.
What are the key properties of 2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide?
2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide has a molecular weight of 287.26 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 95741342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).