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

C18H14N4O4S — CID 42625325

IUPACN-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide
SMILESO=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2[nH]1
InChIInChI=1S/C18H14N4O4S/c23-18-20-16-15(10-11-19-17(16)21-18)26-13-8-6-12(7-9-13)22-27(24,25)14-4-2-1-3-5-14/h1-11,22H,(H2,19,20,21,23)
InChIKeyGUXCOLKEGMSMNM-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.84
Rot. Bonds5

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

N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide (PubChem CID 42625325) has the molecular formula C18H14N4O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide
PubChem CID42625325
Molecular FormulaC18H14N4O4S
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC NameN-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide
SMILESO=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2[nH]1
InChIInChI=1S/C18H14N4O4S/c23-18-20-16-15(10-11-19-17(16)21-18)26-13-8-6-12(7-9-13)22-27(24,25)14-4-2-1-3-5-14/h1-11,22H,(H2,19,20,21,23)
InChIKeyGUXCOLKEGMSMNM-UHFFFAOYSA-N
XLogP2.84
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide (CID 42625325) is N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 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)c4ccccc4)cc3)c2[nH]1.
What is the InChIKey of N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
The InChIKey is GUXCOLKEGMSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S/c23-18-20-16-15(10-11-19-17(16)21-18)26-13-8-6-12(7-9-13)22-27(24,25)14-4-2-1-3-5-14/h1-11,22H,(H2,19,20,21,23).
What are the key properties of N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide?
N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide has a molecular weight of 382.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 42625325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).