6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one

C87H90Cl2N6O18S5 — CID 163943274

About 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one

6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one (PubChem CID 163943274) has the molecular formula C87H90Cl2N6O18S5 and a molecular weight of 1738.94 g/mol. Its IUPAC name is 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one.

Molecular Properties

• Compound Name: 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one
• PubChem CID: 163943274
• Molecular Formula: C87H90Cl2N6O18S5
• Molecular Weight: 1738.94 g/mol
• Exact Mass: 1736.43
• IUPAC Name: 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one
• SMILES: COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5cc(Cl)c(O)c(Cl)c5)C4)ccc1c23.COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5ccc(S(C)(=O)=O)cc5)C4)ccc1c23.COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5csc6ccccc56)C4)ccc1c23
• InChI: InChI=1S/C30H30N2O5S2.C29H32N2O7S2.C28H28Cl2N2O6S/c1-37-16-6-15-32-25-13-12-20(22-9-4-10-24(29(22)25)30(32)34)17-26(33)21-7-5-14-31(18-21)39(35,36)28-19-38-27-11-3-2-8-23(27)28;1-38-17-5-16-31-26-14-9-20(24-7-3-8-25(28(24)26)29(31)33)18-27(32)21-6-4-15-30(19-21)40(36,37)23-12-10-22(11-13-23)39(2,34)35;1-38-12-4-11-32-24-9-8-17(20-6-2-7-21(26(20)24)28(32)35)13-25(33)18-5-3-10-31(16-18)39(36,37)19-14-22(29)27(34)23(30)15-19/h2-4,8-13,19,21H,5-7,14-18H2,1H3;3,7-14,21H,4-6,15-19H2,1-2H3;2,6-9,14-15,18,34H,3-5,10-13,16H2,1H3
• InChIKey: RSXBQWUFBCYQQJ-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 306.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 28
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1738.94
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one?

The IUPAC name of 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one (CID 163943274) is 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one.

What is the SMILES notation for 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one?

The canonical SMILES for 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one is COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5cc(Cl)c(O)c(Cl)c5)C4)ccc1c23.COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5ccc(S(C)(=O)=O)cc5)C4)ccc1c23.COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5csc6ccccc56)C4)ccc1c23.

What is the InChIKey of 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one?

The InChIKey is RSXBQWUFBCYQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O5S2.C29H32N2O7S2.C28H28Cl2N2O6S/c1-37-16-6-15-32-25-13-12-20(22-9-4-10-24(29(22)25)30(32)34)17-26(33)21-7-5-14-31(18-21)39(35,36)28-19-38-27-11-3-2-8-23(27)28;1-38-17-5-16-31-26-14-9-20(24-7-3-8-25(28(24)26)29(31)33)18-27(32)21-6-4-15-30(19-21)40(36,37)23-12-10-22(11-13-23)39(2,34)35;1-38-12-4-11-32-24-9-8-17(20-6-2-7-21(26(20)24)28(32)35)13-25(33)18-5-3-10-31(16-18)39(36,37)19-14-22(29)27(34)23(30)15-19/h2-4,8-13,19,21H,5-7,14-18H2,1H3;3,7-14,21H,4-6,15-19H2,1-2H3;2,6-9,14-15,18,34H,3-5,10-13,16H2,1H3.

What are the key properties of 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one?

6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one has a molecular weight of 1738.94 g/mol, XLogP of 13.78, 28 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[1-(1-benzothiophen-3-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one is sourced from PubChem (CID 163943274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).