2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine

C9H19Cl2NO4S2 — CID 23520322

IUPAC2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine
SMILESCN(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl
InChIInChI=1S/C9H19Cl2NO4S2/c1-12(4-8-17(13,14)6-2-10)5-9-18(15,16)7-3-11/h2-9H2,1H3
InChIKeyWVYCVDFKAIGDQU-UHFFFAOYSA-N
MW340.29 g/mol
LogP0.23
Rot. Bonds10

About 2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine

2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine (PubChem CID 23520322) has the molecular formula C9H19Cl2NO4S2 and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine
PubChem CID23520322
Molecular FormulaC9H19Cl2NO4S2
Molecular Weight340.29 g/mol
Exact Mass339.01
IUPAC Name2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine
SMILESCN(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl
InChIInChI=1S/C9H19Cl2NO4S2/c1-12(4-8-17(13,14)6-2-10)5-9-18(15,16)7-3-11/h2-9H2,1H3
InChIKeyWVYCVDFKAIGDQU-UHFFFAOYSA-N
XLogP0.23
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine?
The IUPAC name of 2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine (CID 23520322) is 2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine.
What is the SMILES notation for 2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine?
The canonical SMILES for 2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine is CN(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl.
What is the InChIKey of 2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine?
The InChIKey is WVYCVDFKAIGDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl2NO4S2/c1-12(4-8-17(13,14)6-2-10)5-9-18(15,16)7-3-11/h2-9H2,1H3.
What are the key properties of 2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine?
2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine has a molecular weight of 340.29 g/mol, XLogP of 0.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfonyl)-N-[2-(2-chloroethylsulfonyl)ethyl]-N-methylethanamine is sourced from PubChem (CID 23520322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).