1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

C13H14F3N3O2S — CID 10568620

IUPAC1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3O2S/c1-3-19-9-11(12(17-19)13(14,15)16)22(20,21)18(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyQRZSEEDWSXQHHQ-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.75
Rot. Bonds4

About 1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide

1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide (PubChem CID 10568620) has the molecular formula C13H14F3N3O2S and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
PubChem CID10568620
Molecular FormulaC13H14F3N3O2S
Molecular Weight333.34 g/mol
Exact Mass333.08
IUPAC Name1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3O2S/c1-3-19-9-11(12(17-19)13(14,15)16)22(20,21)18(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyQRZSEEDWSXQHHQ-UHFFFAOYSA-N
XLogP2.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6467959
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-(2-bromophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6467434
4-(3,5-Diethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73349517
4-(3,5-Dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73351066
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-(3-chlorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508670
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide (CID 10568620) is 1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)c2ccccc2)c(C(F)(F)F)n1.
What is the InChIKey of 1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The InChIKey is QRZSEEDWSXQHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2S/c1-3-19-9-11(12(17-19)13(14,15)16)22(20,21)18(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide?
1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide has a molecular weight of 333.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 10568620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).