5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine

C20H16F3N2O4S- — CID 134495337

IUPAC5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine
SMILESCn1cc(-c2cc(CCNS(=O)[O-])ccc2Oc2ccc(F)cc2F)cc(F)c1=O
InChIInChI=1S/C20H17F3N2O4S/c1-25-11-13(9-17(23)20(25)26)15-8-12(6-7-24-30(27)28)2-4-18(15)29-19-5-3-14(21)10-16(19)22/h2-5,8-11,24H,6-7H2,1H3,(H,27,28)/p-1
InChIKeyZIMGWZZOIFULAL-UHFFFAOYSA-M
MW437.42 g/mol
LogP3.19
Rot. Bonds7

About 5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine

5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine (PubChem CID 134495337) has the molecular formula C20H16F3N2O4S- and a molecular weight of 437.42 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine
PubChem CID134495337
Molecular FormulaC20H16F3N2O4S-
Molecular Weight437.42 g/mol
Exact Mass437.08
IUPAC Name5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine
SMILESCn1cc(-c2cc(CCNS(=O)[O-])ccc2Oc2ccc(F)cc2F)cc(F)c1=O
InChIInChI=1S/C20H17F3N2O4S/c1-25-11-13(9-17(23)20(25)26)15-8-12(6-7-24-30(27)28)2-4-18(15)29-19-5-3-14(21)10-16(19)22/h2-5,8-11,24H,6-7H2,1H3,(H,27,28)/p-1
InChIKeyZIMGWZZOIFULAL-UHFFFAOYSA-M
XLogP3.19
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-3-fluoro-1-methylpyridin-2-one
CID 123323276
5-[2-(4-cyano-2-fluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-4-ethoxy-1-methyl-2-oxopyridine
CID 134495321
5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinoamino)ethyl]phenyl]-4-(4-formylthiophen-3-yl)-1-methyl-2-oxopyridine
CID 134495297
5-[2-[2-fluoro-4-(oxetan-3-yloxy)phenoxy]-5-[2-(sulfinatoamino)ethyl]phenyl]-1-methyl-4-(oxetan-3-yloxy)-2-oxopyridine
CID 134495292
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]methanesulfinamide;hydrate
CID 162322586
5-[2-(2,4-difluorophenoxy)-5-(methylsulfinylmethyl)phenyl]-7-methylimidazo[1,5-a]pyrazin-8-one
CID 118027859
5-[2-(4-chloro-2,6-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-4-ethoxy-1-methyl-2-oxopyridine
CID 134495348
1-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]pyrrole-2,5-dione
CID 158518306
5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 146524986
N-[4-(2,4-difluorophenoxy)-3-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
CID 118021474
5-[2-(4-chlorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-4-ethoxy-1-methyl-2-oxopyridine
CID 134495327
N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
CID 157238786

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine?
The IUPAC name of 5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine (CID 134495337) is 5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine.
What is the SMILES notation for 5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine?
The canonical SMILES for 5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine is Cn1cc(-c2cc(CCNS(=O)[O-])ccc2Oc2ccc(F)cc2F)cc(F)c1=O.
What is the InChIKey of 5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine?
The InChIKey is ZIMGWZZOIFULAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H17F3N2O4S/c1-25-11-13(9-17(23)20(25)26)15-8-12(6-7-24-30(27)28)2-4-18(15)29-19-5-3-14(21)10-16(19)22/h2-5,8-11,24H,6-7H2,1H3,(H,27,28)/p-1.
What are the key properties of 5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine?
5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine has a molecular weight of 437.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenoxy)-5-[2-(sulfinatoamino)ethyl]phenyl]-3-fluoro-1-methyl-2-oxopyridine is sourced from PubChem (CID 134495337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).