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

C8H12F3N3O2S — CID 95741341

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3O2S/c1-6(2)17(15,16)13-7-3-12-14(4-7)5-8(9,10)11/h3-4,6,13H,5H2,1-2H3
InChIKeyOXZLLPOJSNRMKN-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.60
Rot. Bonds4

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

N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide (PubChem CID 95741341) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide
PubChem CID95741341
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3O2S/c1-6(2)17(15,16)13-7-3-12-14(4-7)5-8(9,10)11/h3-4,6,13H,5H2,1-2H3
InChIKeyOXZLLPOJSNRMKN-UHFFFAOYSA-N
XLogP1.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2,2-Trifluoro-1-methyl-ethyl)pyrazol-4-amine
CID 151769896
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-(oxan-2-yl)methanesulfonamide
CID 72003875
1-[2-(ethanesulfonyl)ethyl]-1H-pyrazol-4-amine
CID 43807774
3-(4-amino-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 137942247
3-(4-methylpyrazol-1-yl)-N-[2-(trifluoromethylsulfonyl)ethyl]butan-2-amine
CID 56803205
2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 71875451
N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine
CID 75393034
N-(cyclopropylmethyl)-N'-(1-ethylpyrazol-4-yl)butane-1,4-disulfonamide
CID 121581791
N-methyl-N-(1-methylpyrazol-4-yl)-1-[1-(trifluoromethyl)cyclobutyl]methanesulfonamide
CID 126835134
N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]cyclopropanesulfonamide
CID 164634159
3-(Difluoromethylsulfonyl)-1-methylpyrazol-4-amine
CID 126509547
N-[1-(difluoromethyl)pyrazol-4-yl]ethanesulfonamide
CID 156508165

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide (CID 95741341) is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide?
The InChIKey is OXZLLPOJSNRMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-6(2)17(15,16)13-7-3-12-14(4-7)5-8(9,10)11/h3-4,6,13H,5H2,1-2H3.
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide?
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-2-sulfonamide has a molecular weight of 271.26 g/mol, XLogP of 1.60, 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]propane-2-sulfonamide is sourced from PubChem (CID 95741341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).