6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

C9H7F3N4O2S — CID 170964811

IUPAC6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C9H7F3N4O2S/c10-9(11,12)6-3-15-16(5-6)8-2-1-7(4-14-8)19(13,17)18/h1-5H,(H2,13,17,18)
InChIKeyGHWMZVVJGHPPFL-UHFFFAOYSA-N
MW292.24 g/mol
LogP0.93
Rot. Bonds2

About 6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (PubChem CID 170964811) has the molecular formula C9H7F3N4O2S and a molecular weight of 292.24 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
PubChem CID170964811
Molecular FormulaC9H7F3N4O2S
Molecular Weight292.24 g/mol
Exact Mass292.02
IUPAC Name6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C9H7F3N4O2S/c10-9(11,12)6-3-15-16(5-6)8-2-1-7(4-14-8)19(13,17)18/h1-5H,(H2,13,17,18)
InChIKeyGHWMZVVJGHPPFL-UHFFFAOYSA-N
XLogP0.93
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (CID 170964811) is 6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)cn2)nc1.
What is the InChIKey of 6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The InChIKey is GHWMZVVJGHPPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2S/c10-9(11,12)6-3-15-16(5-6)8-2-1-7(4-14-8)19(13,17)18/h1-5H,(H2,13,17,18).
What are the key properties of 6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide has a molecular weight of 292.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 170964811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).