[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone

C25H22Cl3N3O3S — CID 44624454

IUPAC[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C25H22Cl3N3O3S/c26-19-2-1-3-20(16-19)29-10-12-30(13-11-29)35(33,34)21-5-7-24-17(14-21)8-9-31(24)25(32)18-4-6-22(27)23(28)15-18/h1-7,14-16H,8-13H2
InChIKeyIJDASJAIAGSPIJ-UHFFFAOYSA-N
MW550.90 g/mol
LogP5.36
Rot. Bonds4

About [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone

[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone (PubChem CID 44624454) has the molecular formula C25H22Cl3N3O3S and a molecular weight of 550.90 g/mol. Its IUPAC name is [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone
PubChem CID44624454
Molecular FormulaC25H22Cl3N3O3S
Molecular Weight550.90 g/mol
Exact Mass549.04
IUPAC Name[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C25H22Cl3N3O3S/c26-19-2-1-3-20(16-19)29-10-12-30(13-11-29)35(33,34)21-5-7-24-17(14-21)8-9-31(24)25(32)18-4-6-22(27)23(28)15-18/h1-7,14-16H,8-13H2
InChIKeyIJDASJAIAGSPIJ-UHFFFAOYSA-N
XLogP5.36
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.90
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone (CID 44624454) is [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone?
The InChIKey is IJDASJAIAGSPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl3N3O3S/c26-19-2-1-3-20(16-19)29-10-12-30(13-11-29)35(33,34)21-5-7-24-17(14-21)8-9-31(24)25(32)18-4-6-22(27)23(28)15-18/h1-7,14-16H,8-13H2.
What are the key properties of [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone?
[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone has a molecular weight of 550.90 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 44624454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).