2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide

C20H16ClF3N4O5S — CID 134398766

IUPAC2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1Cl
InChIInChI=1S/C20H16ClF3N4O5S/c21-17-12(18(30)27-34(31,32)14-4-2-1-3-13(14)29)5-6-15(25-17)28-10-7-16(26-28)33-11-19(8-9-19)20(22,23)24/h1-7,10,29H,8-9,11H2,(H,27,30)
InChIKeyPVXYLCUUHABTLL-UHFFFAOYSA-N
MW516.89 g/mol
LogP3.47
Rot. Bonds7

About 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide

2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 134398766) has the molecular formula C20H16ClF3N4O5S and a molecular weight of 516.89 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID134398766
Molecular FormulaC20H16ClF3N4O5S
Molecular Weight516.89 g/mol
Exact Mass516.05
IUPAC Name2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1Cl
InChIInChI=1S/C20H16ClF3N4O5S/c21-17-12(18(30)27-34(31,32)14-4-2-1-3-13(14)29)5-6-15(25-17)28-10-7-16(26-28)33-11-19(8-9-19)20(22,23)24/h1-7,10,29H,8-9,11H2,(H,27,30)
InChIKeyPVXYLCUUHABTLL-UHFFFAOYSA-N
XLogP3.47
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.89
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 134398766) is 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccccc1O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is PVXYLCUUHABTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O5S/c21-17-12(18(30)27-34(31,32)14-4-2-1-3-13(14)29)5-6-15(25-17)28-10-7-16(26-28)33-11-19(8-9-19)20(22,23)24/h1-7,10,29H,8-9,11H2,(H,27,30).
What are the key properties of 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 516.89 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134398766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).