N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide

C12H12F3N3O2S — CID 60917171

IUPACN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H12F3N3O2S/c1-18(21(19,20)11-6-16-17-7-11)8-9-2-4-10(5-3-9)12(13,14)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGLKZKGUHYIRXQG-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.25
Rot. Bonds4

About N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide

N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60917171) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID60917171
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC NameN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H12F3N3O2S/c1-18(21(19,20)11-6-16-17-7-11)8-9-2-4-10(5-3-9)12(13,14)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGLKZKGUHYIRXQG-UHFFFAOYSA-N
XLogP2.25
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide (CID 60917171) is N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide is CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is GLKZKGUHYIRXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-18(21(19,20)11-6-16-17-7-11)8-9-2-4-10(5-3-9)12(13,14)15/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 319.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60917171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).