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

C18H13FN4O4S — CID 42625328

IUPAC4-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)c4ccc(F)cc4)cc3)c2[nH]1
InChIInChI=1S/C18H13FN4O4S/c19-11-1-7-14(8-2-11)28(25,26)23-12-3-5-13(6-4-12)27-15-9-10-20-17-16(15)21-18(24)22-17/h1-10,23H,(H2,20,21,22,24)
InChIKeyIZHKBZSQNNCNJV-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.98
Rot. Bonds5

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

4-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide (PubChem CID 42625328) has the molecular formula C18H13FN4O4S and a molecular weight of 400.39 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide
PubChem CID42625328
Molecular FormulaC18H13FN4O4S
Molecular Weight400.39 g/mol
Exact Mass400.06
IUPAC Name4-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)c4ccc(F)cc4)cc3)c2[nH]1
InChIInChI=1S/C18H13FN4O4S/c19-11-1-7-14(8-2-11)28(25,26)23-12-3-5-13(6-4-12)27-15-9-10-20-17-16(15)21-18(24)22-17/h1-10,23H,(H2,20,21,22,24)
InChIKeyIZHKBZSQNNCNJV-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 4-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide (CID 42625328) is 4-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 4-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)c4ccc(F)cc4)cc3)c2[nH]1.
What is the InChIKey of 4-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
The InChIKey is IZHKBZSQNNCNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O4S/c19-11-1-7-14(8-2-11)28(25,26)23-12-3-5-13(6-4-12)27-15-9-10-20-17-16(15)21-18(24)22-17/h1-10,23H,(H2,20,21,22,24).
What are the key properties of 4-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
4-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 4-fluoro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 42625328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).