5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one

C20H21N3O4S — CID 20969430

IUPAC5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1
InChIInChI=1S/C20H21N3O4S/c1-14(24)15-2-4-17(5-3-15)22-8-10-23(11-9-22)28(26,27)18-6-7-19-16(12-18)13-20(25)21-19/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyIOWHNNUEAIMNRP-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.89
Rot. Bonds4

About 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one

5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one (PubChem CID 20969430) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
PubChem CID20969430
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1
InChIInChI=1S/C20H21N3O4S/c1-14(24)15-2-4-17(5-3-15)22-8-10-23(11-9-22)28(26,27)18-6-7-19-16(12-18)13-20(25)21-19/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyIOWHNNUEAIMNRP-UHFFFAOYSA-N
XLogP1.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one 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-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one (CID 20969430) is 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one is CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1.
What is the InChIKey of 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is IOWHNNUEAIMNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14(24)15-2-4-17(5-3-15)22-8-10-23(11-9-22)28(26,27)18-6-7-19-16(12-18)13-20(25)21-19/h2-7,12H,8-11,13H2,1H3,(H,21,25).
What are the key properties of 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 399.47 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 20969430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).