4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide

C20H14F3N3O3S — CID 139886892

IUPAC4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccc(OC(F)(F)F)cc3)nn3ccccc23)cc1
InChIInChI=1S/C20H14F3N3O3S/c21-20(22,23)29-15-8-4-14(5-9-15)19-18(17-3-1-2-12-26(17)25-19)13-6-10-16(11-7-13)30(24,27)28/h1-12H,(H2,24,27,28)
InChIKeyZAKFUYQBVJHOTI-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.21
Rot. Bonds4

About 4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide

4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide (PubChem CID 139886892) has the molecular formula C20H14F3N3O3S and a molecular weight of 433.41 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
PubChem CID139886892
Molecular FormulaC20H14F3N3O3S
Molecular Weight433.41 g/mol
Exact Mass433.07
IUPAC Name4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c(-c3ccc(OC(F)(F)F)cc3)nn3ccccc23)cc1
InChIInChI=1S/C20H14F3N3O3S/c21-20(22,23)29-15-8-4-14(5-9-15)19-18(17-3-1-2-12-26(17)25-19)13-6-10-16(11-7-13)30(24,27)28/h1-12H,(H2,24,27,28)
InChIKeyZAKFUYQBVJHOTI-UHFFFAOYSA-N
XLogP4.21
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide (CID 139886892) is 4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2c(-c3ccc(OC(F)(F)F)cc3)nn3ccccc23)cc1.
What is the InChIKey of 4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The InChIKey is ZAKFUYQBVJHOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S/c21-20(22,23)29-15-8-4-14(5-9-15)19-18(17-3-1-2-12-26(17)25-19)13-6-10-16(11-7-13)30(24,27)28/h1-12H,(H2,24,27,28).
What are the key properties of 4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide has a molecular weight of 433.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 139886892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).