1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione

C20H20N2O4S — CID 42624533

IUPAC1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C20H20N2O4S/c23-19-17-13-16(27(25,26)21-11-5-2-6-12-21)9-10-18(17)22(20(19)24)14-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKeySLVQURVSFKZTPC-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.59
Rot. Bonds4

About 1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione

1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione (PubChem CID 42624533) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione.

Molecular Properties

Compound Name1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione
PubChem CID42624533
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C20H20N2O4S/c23-19-17-13-16(27(25,26)21-11-5-2-6-12-21)9-10-18(17)22(20(19)24)14-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2
InChIKeySLVQURVSFKZTPC-UHFFFAOYSA-N
XLogP2.59
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione?
The IUPAC name of 1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione (CID 42624533) is 1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione.
What is the SMILES notation for 1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione?
The canonical SMILES for 1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione is O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCCCC3)cc21.
What is the InChIKey of 1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione?
The InChIKey is SLVQURVSFKZTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-19-17-13-16(27(25,26)21-11-5-2-6-12-21)9-10-18(17)22(20(19)24)14-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2.
What are the key properties of 1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione?
1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione has a molecular weight of 384.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-piperidin-1-ylsulfonylindole-2,3-dione is sourced from PubChem (CID 42624533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).