N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide

C21H16F3N3O3S — CID 171049329

IUPACN-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCc1c(ONS(=O)(=O)c2ccccc2)ccc(C(F)(F)F)c1-c1cc2ccccn2n1
InChIInChI=1S/C21H16F3N3O3S/c1-14-19(30-26-31(28,29)16-8-3-2-4-9-16)11-10-17(21(22,23)24)20(14)18-13-15-7-5-6-12-27(15)25-18/h2-13,26H,1H3
InChIKeyGCAJYRRERDWWKI-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.60
Rot. Bonds5

About N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide

N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 171049329) has the molecular formula C21H16F3N3O3S and a molecular weight of 447.44 g/mol. Its IUPAC name is N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID171049329
Molecular FormulaC21H16F3N3O3S
Molecular Weight447.44 g/mol
Exact Mass447.09
IUPAC NameN-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCc1c(ONS(=O)(=O)c2ccccc2)ccc(C(F)(F)F)c1-c1cc2ccccn2n1
InChIInChI=1S/C21H16F3N3O3S/c1-14-19(30-26-31(28,29)16-8-3-2-4-9-16)11-10-17(21(22,23)24)20(14)18-13-15-7-5-6-12-27(15)25-18/h2-13,26H,1H3
InChIKeyGCAJYRRERDWWKI-UHFFFAOYSA-N
XLogP4.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide
CID 155559343
4-[2-(4-Ethoxyphenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 9825544
2-(4-ethoxyphenyl)-N-pyrazolo[1,5-a]pyridin-3-yl-6-(trifluoromethyl)benzenesulfonamide
CID 17924713
[5-(2,3-Dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate
CID 58941537
4-[5-(2-Methoxy-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78324947
4-[3-[[2-(Difluoromethoxy)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]benzenesulfonamide
CID 126689469
4-[2-(3-Fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886658
3-[4-(2,5-Dimethylpyrrol-1-yl)sulfonylphenyl]-2-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
CID 139886708
2-[4-(Difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine
CID 139886712
4-[2-[4-(Difluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886815
4-[2-[4-(Trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886892
[5-(1-Methylpyrazol-4-yl)quinolin-6-yl] 2-propan-2-yl-5-(trifluoromethyl)cyclohexane-1-sulfonate
CID 140154991

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 171049329) is N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide is Cc1c(ONS(=O)(=O)c2ccccc2)ccc(C(F)(F)F)c1-c1cc2ccccn2n1.
What is the InChIKey of N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is GCAJYRRERDWWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O3S/c1-14-19(30-26-31(28,29)16-8-3-2-4-9-16)11-10-17(21(22,23)24)20(14)18-13-15-7-5-6-12-27(15)25-18/h2-13,26H,1H3.
What are the key properties of N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide?
N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 447.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-pyrazolo[1,5-a]pyridin-2-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 171049329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).