5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one

C14H19N3O3S — CID 110707877

IUPAC5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCC1CN(C)CCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H19N3O3S/c1-10-9-16(2)5-6-17(10)21(19,20)12-3-4-13-11(7-12)8-14(18)15-13/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,18)
InChIKeyZLWTYEFRTIFUTL-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.51
Rot. Bonds2

About 5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one

5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one (PubChem CID 110707877) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
PubChem CID110707877
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCC1CN(C)CCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H19N3O3S/c1-10-9-16(2)5-6-17(10)21(19,20)12-3-4-13-11(7-12)8-14(18)15-13/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,18)
InChIKeyZLWTYEFRTIFUTL-UHFFFAOYSA-N
XLogP0.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-cyclohexyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647908
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
N-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9266705
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
2-(1,2-Dihydro-2-oxo-1-(phenylmethyl)-5-(1-piperidinylsulfonyl)-3H-indol-3-ylidene)propanedinitrile
CID 42618278
5-(piperidin-1-ylsulfonyl)-1H-indole-2,3-dione
CID 4117383
1H-Indole-2,3-dione, 5-((4-methyl-1-piperidinyl)sulfonyl)-
CID 4117477
Isatin Sulfonamide 25
CID 9863271
N-[2-(dimethylamino)ethyl]-4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzene-1-sulfonamide
CID 91895650

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one (CID 110707877) is 5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one is CC1CN(C)CCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is ZLWTYEFRTIFUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-9-16(2)5-6-17(10)21(19,20)12-3-4-13-11(7-12)8-14(18)15-13/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,18).
What are the key properties of 5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 309.39 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 110707877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).