4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide

C19H13F3N4O3S — CID 137010607

IUPAC4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nn(-c3ccccc3C(F)(F)F)c3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C19H13F3N4O3S/c20-19(21,22)13-3-1-2-4-14(13)26-15-9-10-24-18(27)16(15)17(25-26)11-5-7-12(8-6-11)30(23,28)29/h1-10H,(H,24,27)(H2,23,28,29)
InChIKeyFMIUFGYMTVXJPH-UHFFFAOYSA-N
MW434.40 g/mol
LogP3.05
Rot. Bonds3

About 4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide

4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide (PubChem CID 137010607) has the molecular formula C19H13F3N4O3S and a molecular weight of 434.40 g/mol. Its IUPAC name is 4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide
PubChem CID137010607
Molecular FormulaC19H13F3N4O3S
Molecular Weight434.40 g/mol
Exact Mass434.07
IUPAC Name4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nn(-c3ccccc3C(F)(F)F)c3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C19H13F3N4O3S/c20-19(21,22)13-3-1-2-4-14(13)26-15-9-10-24-18(27)16(15)17(25-26)11-5-7-12(8-6-11)30(23,28)29/h1-10H,(H,24,27)(H2,23,28,29)
InChIKeyFMIUFGYMTVXJPH-UHFFFAOYSA-N
XLogP3.05
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide (CID 137010607) is 4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nn(-c3ccccc3C(F)(F)F)c3cc[nH]c(=O)c23)cc1.
What is the InChIKey of 4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide?
The InChIKey is FMIUFGYMTVXJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O3S/c20-19(21,22)13-3-1-2-4-14(13)26-15-9-10-24-18(27)16(15)17(25-26)11-5-7-12(8-6-11)30(23,28)29/h1-10H,(H,24,27)(H2,23,28,29).
What are the key properties of 4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide?
4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide has a molecular weight of 434.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 137010607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).