1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide

C28H28BrN3O5S — CID 133159547

About 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide

1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide (PubChem CID 133159547) has the molecular formula C28H28BrN3O5S and a molecular weight of 598.52 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide
• PubChem CID: 133159547
• Molecular Formula: C28H28BrN3O5S
• Molecular Weight: 598.52 g/mol
• Exact Mass: 597.09
• IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide
• SMILES: COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4CCCN(S(=O)(=O)c5ccc(Br)cc5)C4)cc32)cc1
• InChI: InChI=1S/C28H28BrN3O5S/c1-37-24-10-5-20(6-11-24)28(34)32-16-14-19-4-9-23(17-26(19)32)30-27(33)21-3-2-15-31(18-21)38(35,36)25-12-7-22(29)8-13-25/h4-13,17,21H,2-3,14-16,18H2,1H3,(H,30,33)
• InChIKey: ZJIKUEYULBYKTC-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.52
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide?

The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide (CID 133159547) is 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide?

The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide is COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4CCCN(S(=O)(=O)c5ccc(Br)cc5)C4)cc32)cc1.

What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide?

The InChIKey is ZJIKUEYULBYKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28BrN3O5S/c1-37-24-10-5-20(6-11-24)28(34)32-16-14-19-4-9-23(17-26(19)32)30-27(33)21-3-2-15-31(18-21)38(35,36)25-12-7-22(29)8-13-25/h4-13,17,21H,2-3,14-16,18H2,1H3,(H,30,33).

What are the key properties of 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide?

1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide has a molecular weight of 598.52 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)sulfonyl-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-3-carboxamide is sourced from PubChem (CID 133159547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).