N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide

C24H18F2N2O5S — CID 169262664

IUPACN-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccc4F)cc3oc2=O)c1F
InChIInChI=1S/C24H18F2N2O5S/c1-3-34(30,31)28-20-8-4-6-15(22(20)26)12-18-14(2)17-10-9-16(13-21(17)33-24(18)29)32-23-19(25)7-5-11-27-23/h3-11,13,28H,1,12H2,2H3
InChIKeyKJNQRRVEFLOBLL-UHFFFAOYSA-N
MW484.48 g/mol
LogP5.04
Rot. Bonds7

About N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide

N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide (PubChem CID 169262664) has the molecular formula C24H18F2N2O5S and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide
PubChem CID169262664
Molecular FormulaC24H18F2N2O5S
Molecular Weight484.48 g/mol
Exact Mass484.09
IUPAC NameN-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccc4F)cc3oc2=O)c1F
InChIInChI=1S/C24H18F2N2O5S/c1-3-34(30,31)28-20-8-4-6-15(22(20)26)12-18-14(2)17-10-9-16(13-21(17)33-24(18)29)32-23-19(25)7-5-11-27-23/h3-11,13,28H,1,12H2,2H3
InChIKeyKJNQRRVEFLOBLL-UHFFFAOYSA-N
XLogP5.04
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide with MolForge

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Related Compounds

3-[[2-fluoro-3-(methylsulfonylmethyl)phenyl]methyl]-7-[(3-fluoro-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 169262626
CID 87181285
CID 87181285
3-[[3-[(N,S-dimethylsulfonimidoyl)methyl]-2-fluorophenyl]methyl]-7-[(3-fluoro-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 169262665
7-[(3-fluoro-2-pyridinyl)oxy]-3-[[3-fluoro-2-(trideuteriomethylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one
CID 169262614
4-ethyl-3-[[2-fluoro-3-(2-methoxyethylsulfamoylamino)phenyl]methyl]-7-[(3-fluoro-2-pyridinyl)oxy]chromen-2-one
CID 172566128
2-chloro-N-[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]phenyl]acetamide
CID 171506962
2-[3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-4,5-dihydro-1,3-thiazole
CID 88984077
[3-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl] N-methylcarbamate
CID 89233752
7-(1,3-benzothiazol-2-yloxy)-3-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-4-methylchromen-2-one
CID 24753149
ethane;2-[3-[[2-fluoro-3-(sulfinamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
CID 143523054
3-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one
CID 169262667
O-[3-[(3-amino-2-fluorophenyl)methyl]-4-methyl-2-oxochromen-7-yl] N-ethenylcarbamothioate
CID 143523012

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide?
The IUPAC name of N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide (CID 169262664) is N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide.
What is the SMILES notation for N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide?
The canonical SMILES for N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccc4F)cc3oc2=O)c1F.
What is the InChIKey of N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide?
The InChIKey is KJNQRRVEFLOBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O5S/c1-3-34(30,31)28-20-8-4-6-15(22(20)26)12-18-14(2)17-10-9-16(13-21(17)33-24(18)29)32-23-19(25)7-5-11-27-23/h3-11,13,28H,1,12H2,2H3.
What are the key properties of N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide?
N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide has a molecular weight of 484.48 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[[7-[(3-fluoro-2-pyridinyl)oxy]-4-methyl-2-oxochromen-3-yl]methyl]phenyl]ethenesulfonamide is sourced from PubChem (CID 169262664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).