6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one

C80H83Cl4N7O15S5 — CID 163723775

About 6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one

6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one (PubChem CID 163723775) has the molecular formula C80H83Cl4N7O15S5 and a molecular weight of 1684.72 g/mol. Its IUPAC name is 6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one.

Molecular Properties

• Compound Name: 6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one
• PubChem CID: 163723775
• Molecular Formula: C80H83Cl4N7O15S5
• Molecular Weight: 1684.72 g/mol
• Exact Mass: 1681.33
• IUPAC Name: 6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one
• SMILES: COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5cc(Cl)c(Cl)s5)C4)ccc1c23.COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5cc(Cl)sc5Cl)C4)ccc1c23.COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5ccc(C)nc5)C4)ccc1c23
• InChI: InChI=1S/C28H31N3O5S.2C26H26Cl2N2O5S2/c1-19-9-11-22(17-29-19)37(34,35)30-13-4-6-21(18-30)26(32)16-20-10-12-25-27-23(20)7-3-8-24(27)28(33)31(25)14-5-15-36-2;1-35-12-4-11-30-21-9-8-16(18-6-2-7-19(24(18)21)26(30)32)13-22(31)17-5-3-10-29(15-17)37(33,34)23-14-20(27)25(28)36-23;1-35-12-4-11-30-20-9-8-16(18-6-2-7-19(24(18)20)26(30)32)13-21(31)17-5-3-10-29(15-17)37(33,34)22-14-23(27)36-25(22)28/h3,7-12,17,21H,4-6,13-16,18H2,1-2H3;2*2,6-9,14,17H,3-5,10-13,15H2,1H3
• InChIKey: KTWDAOKHINVIMN-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 264.86 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.72
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one?

The IUPAC name of 6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one (CID 163723775) is 6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one.

What is the SMILES notation for 6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one?

The canonical SMILES for 6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one is COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5cc(Cl)c(Cl)s5)C4)ccc1c23.COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5cc(Cl)sc5Cl)C4)ccc1c23.COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5ccc(C)nc5)C4)ccc1c23.

What is the InChIKey of 6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one?

The InChIKey is KTWDAOKHINVIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5S.2C26H26Cl2N2O5S2/c1-19-9-11-22(17-29-19)37(34,35)30-13-4-6-21(18-30)26(32)16-20-10-12-25-27-23(20)7-3-8-24(27)28(33)31(25)14-5-15-36-2;1-35-12-4-11-30-21-9-8-16(18-6-2-7-19(24(18)21)26(30)32)13-22(31)17-5-3-10-29(15-17)37(33,34)23-14-20(27)25(28)36-23;1-35-12-4-11-30-20-9-8-16(18-6-2-7-19(24(18)20)26(30)32)13-21(31)17-5-3-10-29(15-17)37(33,34)22-14-23(27)36-25(22)28/h3,7-12,17,21H,4-6,13-16,18H2,1-2H3;2*2,6-9,14,17H,3-5,10-13,15H2,1H3.

What are the key properties of 6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one?

6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one has a molecular weight of 1684.72 g/mol, XLogP of 14.59, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;6-[2-[1-(4,5-dichlorothiophen-2-yl)sulfonylpiperidin-3-yl]-2-oxoethyl]-1-(3-methoxypropyl)benzo[cd]indol-2-one;1-(3-methoxypropyl)-6-[2-[1-[(6-methyl-3-pyridinyl)sulfonyl]piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one is sourced from PubChem (CID 163723775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).