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

C17H25N3O3S — CID 113075154

IUPAC5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCCCCCN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C17H25N3O3S/c1-2-3-4-7-19-8-10-20(11-9-19)24(22,23)15-5-6-16-14(12-15)13-17(21)18-16/h5-6,12H,2-4,7-11,13H2,1H3,(H,18,21)
InChIKeyXEVUTFKDKAPOLI-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.68
Rot. Bonds6

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

5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one (PubChem CID 113075154) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
PubChem CID113075154
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCCCCCN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C17H25N3O3S/c1-2-3-4-7-19-8-10-20(11-9-19)24(22,23)15-5-6-16-14(12-15)13-17(21)18-16/h5-6,12H,2-4,7-11,13H2,1H3,(H,18,21)
InChIKeyXEVUTFKDKAPOLI-UHFFFAOYSA-N
XLogP1.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110395835
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110646443
N-butyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperazin-1-yl]acetamide
CID 28533821
6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 9264499
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110662434
5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110805342
5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 113076621
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110725492
5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110418578
5-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110602954

Frequently Asked Questions

What is the IUPAC name of 5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one (CID 113075154) is 5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one is CCCCCN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is XEVUTFKDKAPOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-2-3-4-7-19-8-10-20(11-9-19)24(22,23)15-5-6-16-14(12-15)13-17(21)18-16/h5-6,12H,2-4,7-11,13H2,1H3,(H,18,21).
What are the key properties of 5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 351.47 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 113075154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).