(3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one

C32H32Cl2N4O5S — CID 46846839

About (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one

(3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one (PubChem CID 46846839) has the molecular formula C32H32Cl2N4O5S and a molecular weight of 655.60 g/mol. Its IUPAC name is (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

• Compound Name: (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one
• PubChem CID: 46846839
• Molecular Formula: C32H32Cl2N4O5S
• Molecular Weight: 655.60 g/mol
• Exact Mass: 654.15
• IUPAC Name: (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one
• SMILES: CN1CCN(C(=O)CCc2c(/C=C3\C(=O)Nc4ccc(S(=O)(=O)Cc5c(Cl)cccc5Cl)cc43)[nH]c3c2C(=O)CCC3)CC1
• InChI: InChI=1S/C32H32Cl2N4O5S/c1-37-12-14-38(15-13-37)30(40)11-9-20-28(35-27-6-3-7-29(39)31(20)27)17-22-21-16-19(8-10-26(21)36-32(22)41)44(42,43)18-23-24(33)4-2-5-25(23)34/h2,4-5,8,10,16-17,35H,3,6-7,9,11-15,18H2,1H3,(H,36,41)/b22-17-
• InChIKey: KVJNGJDHEFVZDK-XLNRJJMWSA-N
• XLogP: 5.01
• TPSA: 119.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.60
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one?

The IUPAC name of (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one (CID 46846839) is (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one.

What is the SMILES notation for (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one?

The canonical SMILES for (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one is CN1CCN(C(=O)CCc2c(/C=C3\C(=O)Nc4ccc(S(=O)(=O)Cc5c(Cl)cccc5Cl)cc43)[nH]c3c2C(=O)CCC3)CC1.

What is the InChIKey of (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one?

The InChIKey is KVJNGJDHEFVZDK-XLNRJJMWSA-N. The full InChI is InChI=1S/C32H32Cl2N4O5S/c1-37-12-14-38(15-13-37)30(40)11-9-20-28(35-27-6-3-7-29(39)31(20)27)17-22-21-16-19(8-10-26(21)36-32(22)41)44(42,43)18-23-24(33)4-2-5-25(23)34/h2,4-5,8,10,16-17,35H,3,6-7,9,11-15,18H2,1H3,(H,36,41)/b22-17-.

What are the key properties of (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one?

(3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 655.60 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 46846839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).