1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide

C12H12F3N3O2S — CID 1510182

IUPAC1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCCN1C=C(C=N1)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F
InChIInChI=1S/C12H12F3N3O2S/c1-2-18-8-9(7-16-18)21(19,20)17-11-6-4-3-5-10(11)12(13,14)15/h3-8,17H,2H2,1H3
InChIKeyDWTRUSBCOCKROA-UHFFFAOYSA-N
MW319.30 g/mol
LogP1.90
Rot. Bonds4

About 1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide

1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 1510182) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.30 g/mol. Its IUPAC name is 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID1510182
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.30 g/mol
Exact Mass319.06
IUPAC Name1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCCN1C=C(C=N1)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F
InChIInChI=1S/C12H12F3N3O2S/c1-2-18-8-9(7-16-18)21(19,20)17-11-6-4-3-5-10(11)12(13,14)15/h3-8,17H,2H2,1H3
InChIKeyDWTRUSBCOCKROA-UHFFFAOYSA-N
XLogP1.90
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity450

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6465101
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
N-(2-ethyl-6-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022099
N~1~-(4-fluoro-2-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022103
N-(2,4-dimethylphenyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914791
N-[(4-Fluorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914802
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 1510182) is 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is CCN1C=C(C=N1)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F.
What is the InChIKey of 1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is DWTRUSBCOCKROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-2-18-8-9(7-16-18)21(19,20)17-11-6-4-3-5-10(11)12(13,14)15/h3-8,17H,2H2,1H3.
What are the key properties of 1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 319.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 1510182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).