5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one

C19H16Cl2N2O3S — CID 166594431

IUPAC5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one
SMILESO=C1NCC(Cl)CC1S(=O)(=O)n1c(-c2ccccc2)cc2cc(Cl)ccc21
InChIInChI=1S/C19H16Cl2N2O3S/c20-14-6-7-16-13(8-14)9-17(12-4-2-1-3-5-12)23(16)27(25,26)18-10-15(21)11-22-19(18)24/h1-9,15,18H,10-11H2,(H,22,24)
InChIKeyKYCNCNIPRMCZPU-UHFFFAOYSA-N
MW423.32 g/mol
LogP3.64
Rot. Bonds3

About 5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one

5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one (PubChem CID 166594431) has the molecular formula C19H16Cl2N2O3S and a molecular weight of 423.32 g/mol. Its IUPAC name is 5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one.

Molecular Properties

Compound Name5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one
PubChem CID166594431
Molecular FormulaC19H16Cl2N2O3S
Molecular Weight423.32 g/mol
Exact Mass422.03
IUPAC Name5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one
SMILESO=C1NCC(Cl)CC1S(=O)(=O)n1c(-c2ccccc2)cc2cc(Cl)ccc21
InChIInChI=1S/C19H16Cl2N2O3S/c20-14-6-7-16-13(8-14)9-17(12-4-2-1-3-5-12)23(16)27(25,26)18-10-15(21)11-22-19(18)24/h1-9,15,18H,10-11H2,(H,22,24)
InChIKeyKYCNCNIPRMCZPU-UHFFFAOYSA-N
XLogP3.64
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one?
The IUPAC name of 5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one (CID 166594431) is 5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one.
What is the SMILES notation for 5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one?
The canonical SMILES for 5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one is O=C1NCC(Cl)CC1S(=O)(=O)n1c(-c2ccccc2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one?
The InChIKey is KYCNCNIPRMCZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3S/c20-14-6-7-16-13(8-14)9-17(12-4-2-1-3-5-12)23(16)27(25,26)18-10-15(21)11-22-19(18)24/h1-9,15,18H,10-11H2,(H,22,24).
What are the key properties of 5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one?
5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one has a molecular weight of 423.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one is sourced from PubChem (CID 166594431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).