N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C6H8F3N3O2S — CID 60917319

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C6H8F3N3O2S/c1-12(4-6(7,8)9)15(13,14)5-2-10-11-3-5/h2-3H,4H2,1H3,(H,10,11)
InChIKeyOKUISTJLUKSAAU-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.59
Rot. Bonds3

About N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60917319) has the molecular formula C6H8F3N3O2S and a molecular weight of 243.21 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60917319
Molecular FormulaC6H8F3N3O2S
Molecular Weight243.21 g/mol
Exact Mass243.03
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C6H8F3N3O2S/c1-12(4-6(7,8)9)15(13,14)5-2-10-11-3-5/h2-3H,4H2,1H3,(H,10,11)
InChIKeyOKUISTJLUKSAAU-UHFFFAOYSA-N
XLogP0.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60917319) is N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OKUISTJLUKSAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S/c1-12(4-6(7,8)9)15(13,14)5-2-10-11-3-5/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60917319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).