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

C19H12ClF3N4O4S — CID 11720025

IUPAC4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)c2[nH]1
InChIInChI=1S/C19H12ClF3N4O4S/c20-14-6-5-12(9-13(14)19(21,22)23)32(29,30)27-10-1-3-11(4-2-10)31-15-7-8-24-17-16(15)25-18(28)26-17/h1-9,27H,(H2,24,25,26,28)
InChIKeyVFYIAFXPHYDOSC-UHFFFAOYSA-N
MW484.84 g/mol
LogP4.52
Rot. Bonds5

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

4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11720025) has the molecular formula C19H12ClF3N4O4S and a molecular weight of 484.84 g/mol. Its IUPAC name is 4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11720025
Molecular FormulaC19H12ClF3N4O4S
Molecular Weight484.84 g/mol
Exact Mass484.02
IUPAC Name4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)c2[nH]1
InChIInChI=1S/C19H12ClF3N4O4S/c20-14-6-5-12(9-13(14)19(21,22)23)32(29,30)27-10-1-3-11(4-2-10)31-15-7-8-24-17-16(15)25-18(28)26-17/h1-9,27H,(H2,24,25,26,28)
InChIKeyVFYIAFXPHYDOSC-UHFFFAOYSA-N
XLogP4.52
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.84
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11720025) is 4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide is O=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)c2[nH]1.
What is the InChIKey of 4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VFYIAFXPHYDOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O4S/c20-14-6-5-12(9-13(14)19(21,22)23)32(29,30)27-10-1-3-11(4-2-10)31-15-7-8-24-17-16(15)25-18(28)26-17/h1-9,27H,(H2,24,25,26,28).
What are the key properties of 4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 484.84 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11720025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).