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

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Related Compounds

Isatin Sulfonamide 26
CID 9800285
1H-Indole-2,3-dione, 5-(1-azetidinylsulfonyl)-
CID 9903426
1H-Benzo[cd]indol-2-one, 1-ethyl-6-(piperazine-1-sulfonyl)-
CID 741724
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
N-[2-(cyclohexen-1-yl)ethyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 5307635
2-(1,2-Dihydro-2-oxo-1-(phenylmethyl)-5-(1-piperidinylsulfonyl)-3H-indol-3-ylidene)propanedinitrile
CID 42618278
Isatin sulfonamide, 16a
CID 42618287
5-(Pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
CID 4117381
5-(piperidin-1-ylsulfonyl)-1H-indole-2,3-dione
CID 4117383

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).