3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide

C22H21ClN4O3S — CID 50762247

About 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide

3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide (PubChem CID 50762247) has the molecular formula C22H21ClN4O3S and a molecular weight of 456.96 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
• PubChem CID: 50762247
• Molecular Formula: C22H21ClN4O3S
• Molecular Weight: 456.96 g/mol
• Exact Mass: 456.10
• IUPAC Name: 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)NCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1Cl
• InChI: InChI=1S/C22H21ClN4O3S/c1-15-5-7-16(8-6-15)21-26-19-4-3-11-24-22(19)27(21)13-12-25-31(28,29)17-9-10-20(30-2)18(23)14-17/h3-11,14,25H,12-13H2,1-2H3
• InChIKey: DHVMCOKZKHRART-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.96
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?

The IUPAC name of 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide (CID 50762247) is 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide.

What is the SMILES notation for 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?

The canonical SMILES for 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1Cl.

What is the InChIKey of 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?

The InChIKey is DHVMCOKZKHRART-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3S/c1-15-5-7-16(8-6-15)21-26-19-4-3-11-24-22(19)27(21)13-12-25-31(28,29)17-9-10-20(30-2)18(23)14-17/h3-11,14,25H,12-13H2,1-2H3.

What are the key properties of 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?

3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 456.96 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 50762247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).