5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide

C25H23Cl3N4O3S — CID 44624116

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C25H23Cl3N4O3S/c26-18-2-1-3-20(15-18)30-10-12-31(13-11-30)36(34,35)21-5-7-24-17(14-21)8-9-32(24)25(33)29-19-4-6-22(27)23(28)16-19/h1-7,14-16H,8-13H2,(H,29,33)
InChIKeyURSVIOSQNCZMFN-UHFFFAOYSA-N
MW565.91 g/mol
LogP5.75
Rot. Bonds4

About 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide

5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 44624116) has the molecular formula C25H23Cl3N4O3S and a molecular weight of 565.91 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID44624116
Molecular FormulaC25H23Cl3N4O3S
Molecular Weight565.91 g/mol
Exact Mass564.06
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C25H23Cl3N4O3S/c26-18-2-1-3-20(15-18)30-10-12-31(13-11-30)36(34,35)21-5-7-24-17(14-21)8-9-32(24)25(33)29-19-4-6-22(27)23(28)16-19/h1-7,14-16H,8-13H2,(H,29,33)
InChIKeyURSVIOSQNCZMFN-UHFFFAOYSA-N
XLogP5.75
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.91
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide (CID 44624116) is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide is O=C(Nc1ccc(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-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is URSVIOSQNCZMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N4O3S/c26-18-2-1-3-20(15-18)30-10-12-31(13-11-30)36(34,35)21-5-7-24-17(14-21)8-9-32(24)25(33)29-19-4-6-22(27)23(28)16-19/h1-7,14-16H,8-13H2,(H,29,33).
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide?
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 565.91 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 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-N-(3,4-dichlorophenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 44624116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).