N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide

C15H12F3N3O3S — CID 71790789

IUPACN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cnn2ccccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3O3S/c16-15(17,18)24-12-4-6-13(7-5-12)25(22,23)20-10-11-9-19-21-8-2-1-3-14(11)21/h1-9,20H,10H2
InChIKeyXUQXNOYDEYAYCB-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.71
Rot. Bonds5

About N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71790789) has the molecular formula C15H12F3N3O3S and a molecular weight of 371.34 g/mol. Its IUPAC name is N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID71790789
Molecular FormulaC15H12F3N3O3S
Molecular Weight371.34 g/mol
Exact Mass371.06
IUPAC NameN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cnn2ccccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3O3S/c16-15(17,18)24-12-4-6-13(7-5-12)25(22,23)20-10-11-9-19-21-8-2-1-3-14(11)21/h1-9,20H,10H2
InChIKeyXUQXNOYDEYAYCB-UHFFFAOYSA-N
XLogP2.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]propan-2-amine
CID 10048281
N-butyl-N-[3-[4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10074125
(4aS)-1-(4-fluorophenyl)-6-(4-methoxyphenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454906
1-[5-(2-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 67083994
US9974785, Example 8
CID 118654355
5-[4-(Trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
CID 127044563
5-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 127044564
3-[(4-Methylpiperazin-1-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonylindole
CID 137633644
N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 53318167
N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2738794
N-(5H-pyrido[4,3-b]indol-8-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 52941598
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 70708450

Frequently Asked Questions

What is the IUPAC name of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 71790789) is N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1cnn2ccccc12)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is XUQXNOYDEYAYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3S/c16-15(17,18)24-12-4-6-13(7-5-12)25(22,23)20-10-11-9-19-21-8-2-1-3-14(11)21/h1-9,20H,10H2.
What are the key properties of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 371.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71790789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).