2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C15H18ClN3O3S — CID 39348949

IUPAC2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cn2ccc3c(Cl)cccc32)CC1
InChIInChI=1S/C15H18ClN3O3S/c1-23(21,22)19-9-7-17(8-10-19)15(20)11-18-6-5-12-13(16)3-2-4-14(12)18/h2-6H,7-11H2,1H3
InChIKeyPPVYLVKHYREOEE-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.40
Rot. Bonds3

About 2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 39348949) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID39348949
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cn2ccc3c(Cl)cccc32)CC1
InChIInChI=1S/C15H18ClN3O3S/c1-23(21,22)19-9-7-17(8-10-19)15(20)11-18-6-5-12-13(16)3-2-4-14(12)18/h2-6H,7-11H2,1H3
InChIKeyPPVYLVKHYREOEE-UHFFFAOYSA-N
XLogP1.40
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 39348949) is 2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CS(=O)(=O)N1CCN(C(=O)Cn2ccc3c(Cl)cccc32)CC1.
What is the InChIKey of 2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is PPVYLVKHYREOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-23(21,22)19-9-7-17(8-10-19)15(20)11-18-6-5-12-13(16)3-2-4-14(12)18/h2-6H,7-11H2,1H3.
What are the key properties of 2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 355.85 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroindol-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 39348949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).