5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione

C13H14N2O4S — CID 4117383

IUPAC5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=O
InChIInChI=1S/C13H14N2O4S/c16-12-10-8-9(4-5-11(10)14-13(12)17)20(18,19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,16,17)
InChIKeyYATIWPMEKYVTAO-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.00
Rot. Bonds2

About 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione

5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione (PubChem CID 4117383) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione
PubChem CID4117383
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=O
InChIInChI=1S/C13H14N2O4S/c16-12-10-8-9(4-5-11(10)14-13(12)17)20(18,19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,16,17)
InChIKeyYATIWPMEKYVTAO-UHFFFAOYSA-N
XLogP1.00
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-3-Oxo-1,3-Dihydro-Benzo(C)Isothiazole-5-Sulfonic Acid Amide
CID 1387
Isatin Sulfonamide 26
CID 9800285
2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 12142411
Sodium 2,3-dioxoindoline-5-sulfonate
CID 3657942
5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
CID 20969430
Mmpsi
CID 9840223
1H-Indole-2,3-dione, 5-(1-azetidinylsulfonyl)-
CID 9903426
N-(2-methoxyethyl)-N-methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 10851609
N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
CID 2798315
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
N-[2-(cyclohexen-1-yl)ethyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 5307635

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione?
The IUPAC name of 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione (CID 4117383) is 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione is O=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=O.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione?
The InChIKey is YATIWPMEKYVTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-12-10-8-9(4-5-11(10)14-13(12)17)20(18,19)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H,14,16,17).
What are the key properties of 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione?
5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione has a molecular weight of 294.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-1H-indole-2,3-dione is sourced from PubChem (CID 4117383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).