[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride

C24H28Cl2N4O3S — CID 22711055

About [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride

[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride (PubChem CID 22711055) has the molecular formula C24H28Cl2N4O3S and a molecular weight of 523.49 g/mol. Its IUPAC name is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride.

Molecular Properties

• Compound Name: [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride
• PubChem CID: 22711055
• Molecular Formula: C24H28Cl2N4O3S
• Molecular Weight: 523.49 g/mol
• Exact Mass: 522.13
• IUPAC Name: [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride
• SMILES: CCN1CCc2[nH]c(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2C1.Cl
• InChI: InChI=1S/C24H27ClN4O3S.ClH/c1-2-27-8-7-22-19(16-27)15-23(26-22)24(30)28-9-11-29(12-10-28)33(31,32)21-6-4-17-13-20(25)5-3-18(17)14-21;/h3-6,13-15,26H,2,7-12,16H2,1H3;1H
• InChIKey: KDJKHKHGXKCKAI-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.49
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride?

The IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride (CID 22711055) is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride.

What is the SMILES notation for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride?

The canonical SMILES for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride is CCN1CCc2[nH]c(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2C1.Cl.

What is the InChIKey of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride?

The InChIKey is KDJKHKHGXKCKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3S.ClH/c1-2-27-8-7-22-19(16-27)15-23(26-22)24(30)28-9-11-29(12-10-28)33(31,32)21-6-4-17-13-20(25)5-3-18(17)14-21;/h3-6,13-15,26H,2,7-12,16H2,1H3;1H.

What are the key properties of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride?

[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride has a molecular weight of 523.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride is sourced from PubChem (CID 22711055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).