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

C19H13F3N4O4S — CID 42625327

IUPACN-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)c2[nH]1
InChIInChI=1S/C19H13F3N4O4S/c20-19(21,22)11-1-7-14(8-2-11)31(28,29)26-12-3-5-13(6-4-12)30-15-9-10-23-17-16(15)24-18(27)25-17/h1-10,26H,(H2,23,24,25,27)
InChIKeyMNTQCNXYWXTJOC-UHFFFAOYSA-N
MW450.40 g/mol
LogP3.86
Rot. Bonds5

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

N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 42625327) has the molecular formula C19H13F3N4O4S and a molecular weight of 450.40 g/mol. Its IUPAC name is N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID42625327
Molecular FormulaC19H13F3N4O4S
Molecular Weight450.40 g/mol
Exact Mass450.06
IUPAC NameN-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)c2[nH]1
InChIInChI=1S/C19H13F3N4O4S/c20-19(21,22)11-1-7-14(8-2-11)31(28,29)26-12-3-5-13(6-4-12)30-15-9-10-23-17-16(15)24-18(27)25-17/h1-10,26H,(H2,23,24,25,27)
InChIKeyMNTQCNXYWXTJOC-UHFFFAOYSA-N
XLogP3.86
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 53.86
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]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 42625327) is N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide is O=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)c2[nH]1.
What is the InChIKey of N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MNTQCNXYWXTJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O4S/c20-19(21,22)11-1-7-14(8-2-11)31(28,29)26-12-3-5-13(6-4-12)30-15-9-10-23-17-16(15)24-18(27)25-17/h1-10,26H,(H2,23,24,25,27).
What are the key properties of N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 450.40 g/mol, XLogP of 3.86, 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]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 42625327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).