2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide

C16H12F2N2O5S — CID 166230506

IUPAC2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide
SMILESO=c1ccc2cc(NS(=O)(=O)c3cccnc3OCC(F)F)ccc2o1
InChIInChI=1S/C16H12F2N2O5S/c17-14(18)9-24-16-13(2-1-7-19-16)26(22,23)20-11-4-5-12-10(8-11)3-6-15(21)25-12/h1-8,14,20H,9H2
InChIKeyOILUKBMYWHCMOQ-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.63
Rot. Bonds6

About 2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide

2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide (PubChem CID 166230506) has the molecular formula C16H12F2N2O5S and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide
PubChem CID166230506
Molecular FormulaC16H12F2N2O5S
Molecular Weight382.34 g/mol
Exact Mass382.04
IUPAC Name2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide
SMILESO=c1ccc2cc(NS(=O)(=O)c3cccnc3OCC(F)F)ccc2o1
InChIInChI=1S/C16H12F2N2O5S/c17-14(18)9-24-16-13(2-1-7-19-16)26(22,23)20-11-4-5-12-10(8-11)3-6-15(21)25-12/h1-8,14,20H,9H2
InChIKeyOILUKBMYWHCMOQ-UHFFFAOYSA-N
XLogP2.63
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide (CID 166230506) is 2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide is O=c1ccc2cc(NS(=O)(=O)c3cccnc3OCC(F)F)ccc2o1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide?
The InChIKey is OILUKBMYWHCMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O5S/c17-14(18)9-24-16-13(2-1-7-19-16)26(22,23)20-11-4-5-12-10(8-11)3-6-15(21)25-12/h1-8,14,20H,9H2.
What are the key properties of 2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide?
2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide has a molecular weight of 382.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(2-oxochromen-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 166230506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).