5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

C11H11F3N4O3S — CID 68514203

IUPAC5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESCCOc1cc(C(F)(F)F)nn1-c1cncc(S(N)(=O)=O)c1
InChIInChI=1S/C11H11F3N4O3S/c1-2-21-10-4-9(11(12,13)14)17-18(10)7-3-8(6-16-5-7)22(15,19)20/h3-6H,2H2,1H3,(H2,15,19,20)
InChIKeyMCMCAXSZJLKIIP-UHFFFAOYSA-N
MW336.30 g/mol
LogP1.33
Rot. Bonds4

About 5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (PubChem CID 68514203) has the molecular formula C11H11F3N4O3S and a molecular weight of 336.30 g/mol. Its IUPAC name is 5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
PubChem CID68514203
Molecular FormulaC11H11F3N4O3S
Molecular Weight336.30 g/mol
Exact Mass336.05
IUPAC Name5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESCCOc1cc(C(F)(F)F)nn1-c1cncc(S(N)(=O)=O)c1
InChIInChI=1S/C11H11F3N4O3S/c1-2-21-10-4-9(11(12,13)14)17-18(10)7-3-8(6-16-5-7)22(15,19)20/h3-6H,2H2,1H3,(H2,15,19,20)
InChIKeyMCMCAXSZJLKIIP-UHFFFAOYSA-N
XLogP1.33
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (CID 68514203) is 5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is CCOc1cc(C(F)(F)F)nn1-c1cncc(S(N)(=O)=O)c1.
What is the InChIKey of 5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The InChIKey is MCMCAXSZJLKIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O3S/c1-2-21-10-4-9(11(12,13)14)17-18(10)7-3-8(6-16-5-7)22(15,19)20/h3-6H,2H2,1H3,(H2,15,19,20).
What are the key properties of 5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide has a molecular weight of 336.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 68514203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).