N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide

C20H14FN3O5S — CID 56561894

IUPACN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)NCc3cccnc3Oc3cccc(F)c3)ccc21
InChIInChI=1S/C20H14FN3O5S/c21-13-4-1-5-14(9-13)29-20-12(3-2-8-22-20)11-23-30(27,28)15-6-7-16-17(10-15)19(26)24-18(16)25/h1-10,23H,11H2,(H,24,25,26)
InChIKeyOOMOJFVFHONRMI-UHFFFAOYSA-N
MW427.41 g/mol
LogP2.38
Rot. Bonds6

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 56561894) has the molecular formula C20H14FN3O5S and a molecular weight of 427.41 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide
PubChem CID56561894
Molecular FormulaC20H14FN3O5S
Molecular Weight427.41 g/mol
Exact Mass427.06
IUPAC NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)NCc3cccnc3Oc3cccc(F)c3)ccc21
InChIInChI=1S/C20H14FN3O5S/c21-13-4-1-5-14(9-13)29-20-12(3-2-8-22-20)11-23-30(27,28)15-6-7-16-17(10-15)19(26)24-18(16)25/h1-10,23H,11H2,(H,24,25,26)
InChIKeyOOMOJFVFHONRMI-UHFFFAOYSA-N
XLogP2.38
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660078
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56561825
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
CID 39660247
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
CID 55691601
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 39660154
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyridine-3-sulfonamide
CID 26407651
3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 55777426
6-tert-butylsulfonyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]pyridin-3-amine
CID 133373902
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56560913
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide (CID 56561894) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide is O=C1NC(=O)c2cc(S(=O)(=O)NCc3cccnc3Oc3cccc(F)c3)ccc21.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is OOMOJFVFHONRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O5S/c21-13-4-1-5-14(9-13)29-20-12(3-2-8-22-20)11-23-30(27,28)15-6-7-16-17(10-15)19(26)24-18(16)25/h1-10,23H,11H2,(H,24,25,26).
What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide?
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 427.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 56561894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).