2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide

C18H13FN4O4S — CID 42625413

IUPAC2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide
SMILESO=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccccc4F)cc3)c2[nH]1
InChIInChI=1S/C18H13FN4O4S/c19-13-3-1-2-4-15(13)28(25,26)23-11-5-7-12(8-6-11)27-14-9-10-20-17-16(14)21-18(24)22-17/h1-10,23H,(H2,20,21,22,24)
InChIKeyZQMBJUDBKRWPSX-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.98
Rot. Bonds5

About 2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide

2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide (PubChem CID 42625413) has the molecular formula C18H13FN4O4S and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide
PubChem CID42625413
Molecular FormulaC18H13FN4O4S
Molecular Weight400.39 g/mol
Exact Mass400.06
IUPAC Name2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide
SMILESO=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccccc4F)cc3)c2[nH]1
InChIInChI=1S/C18H13FN4O4S/c19-13-3-1-2-4-15(13)28(25,26)23-11-5-7-12(8-6-11)27-14-9-10-20-17-16(14)21-18(24)22-17/h1-10,23H,(H2,20,21,22,24)
InChIKeyZQMBJUDBKRWPSX-UHFFFAOYSA-N
XLogP2.98
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide (CID 42625413) is 2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide is O=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccccc4F)cc3)c2[nH]1.
What is the InChIKey of 2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
The InChIKey is ZQMBJUDBKRWPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O4S/c19-13-3-1-2-4-15(13)28(25,26)23-11-5-7-12(8-6-11)27-14-9-10-20-17-16(14)21-18(24)22-17/h1-10,23H,(H2,20,21,22,24).
What are the key properties of 2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide has a molecular weight of 400.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 42625413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).