1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide

C25H29BrFN3O4S — CID 15996203

About 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide

1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide (PubChem CID 15996203) has the molecular formula C25H29BrFN3O4S and a molecular weight of 566.49 g/mol. Its IUPAC name is 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide
• PubChem CID: 15996203
• Molecular Formula: C25H29BrFN3O4S
• Molecular Weight: 566.49 g/mol
• Exact Mass: 565.10
• IUPAC Name: 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide
• SMILES: CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC(C(=O)N(CC)c4ccc(F)cc4)C3)c21
• InChI: InChI=1S/C25H29BrFN3O4S/c1-3-23(31)30-13-11-17-14-19(26)15-22(24(17)30)35(33,34)28-12-5-6-18(16-28)25(32)29(4-2)21-9-7-20(27)8-10-21/h7-10,14-15,18H,3-6,11-13,16H2,1-2H3
• InChIKey: VILRJVJWAHTOLK-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 78.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.49
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide?

The IUPAC name of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide (CID 15996203) is 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide is CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC(C(=O)N(CC)c4ccc(F)cc4)C3)c21.

What is the InChIKey of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide?

The InChIKey is VILRJVJWAHTOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrFN3O4S/c1-3-23(31)30-13-11-17-14-19(26)15-22(24(17)30)35(33,34)28-12-5-6-18(16-28)25(32)29(4-2)21-9-7-20(27)8-10-21/h7-10,14-15,18H,3-6,11-13,16H2,1-2H3.

What are the key properties of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide?

1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 566.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 15996203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).