1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide

C20H24ClN3O2S — CID 53144930

About 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide (PubChem CID 53144930) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
• PubChem CID: 53144930
• Molecular Formula: C20H24ClN3O2S
• Molecular Weight: 405.95 g/mol
• Exact Mass: 405.13
• IUPAC Name: 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
• SMILES: CC(C)Cn1cc(CCNS(=O)(=O)Cc2ccccc2Cl)c2cccnc21
• InChI: InChI=1S/C20H24ClN3O2S/c1-15(2)12-24-13-16(18-7-5-10-22-20(18)24)9-11-23-27(25,26)14-17-6-3-4-8-19(17)21/h3-8,10,13,15,23H,9,11-12,14H2,1-2H3
• InChIKey: VVSYLZGUFCXOJI-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.95
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide?

The IUPAC name of 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide (CID 53144930) is 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide.

What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide?

The canonical SMILES for 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide is CC(C)Cn1cc(CCNS(=O)(=O)Cc2ccccc2Cl)c2cccnc21.

What is the InChIKey of 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide?

The InChIKey is VVSYLZGUFCXOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-15(2)12-24-13-16(18-7-5-10-22-20(18)24)9-11-23-27(25,26)14-17-6-3-4-8-19(17)21/h3-8,10,13,15,23H,9,11-12,14H2,1-2H3.

What are the key properties of 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide?

1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide has a molecular weight of 405.95 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 53144930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).