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

C16H12N4O4S2 — CID 42625329

IUPACN-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4cccs4)cc3)c2[nH]1
InChIInChI=1S/C16H12N4O4S2/c21-16-18-14-12(7-8-17-15(14)19-16)24-11-5-3-10(4-6-11)20-26(22,23)13-2-1-9-25-13/h1-9,20H,(H2,17,18,19,21)
InChIKeyMVOOXCFBNPHIMZ-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.91
Rot. Bonds5

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

N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide (PubChem CID 42625329) has the molecular formula C16H12N4O4S2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide
PubChem CID42625329
Molecular FormulaC16H12N4O4S2
Molecular Weight388.43 g/mol
Exact Mass388.03
IUPAC NameN-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4cccs4)cc3)c2[nH]1
InChIInChI=1S/C16H12N4O4S2/c21-16-18-14-12(7-8-17-15(14)19-16)24-11-5-3-10(4-6-11)20-26(22,23)13-2-1-9-25-13/h1-9,20H,(H2,17,18,19,21)
InChIKeyMVOOXCFBNPHIMZ-UHFFFAOYSA-N
XLogP2.91
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide (CID 42625329) is N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide is O=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4cccs4)cc3)c2[nH]1.
What is the InChIKey of N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide?
The InChIKey is MVOOXCFBNPHIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S2/c21-16-18-14-12(7-8-17-15(14)19-16)24-11-5-3-10(4-6-11)20-26(22,23)13-2-1-9-25-13/h1-9,20H,(H2,17,18,19,21).
What are the key properties of N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide?
N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]thiophene-2-sulfonamide has a molecular weight of 388.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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]thiophene-2-sulfonamide is sourced from PubChem (CID 42625329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).