N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide

C6H14ClNO3S — CID 63396524

IUPACN-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)CCCl
InChIInChI=1S/C6H14ClNO3S/c1-8(4-3-7)12(9,10)6-5-11-2/h3-6H2,1-2H3
InChIKeyXWGTZKSNJGZVKB-UHFFFAOYSA-N
MW215.70 g/mol
LogP0.13
Rot. Bonds6

About N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide

N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide (PubChem CID 63396524) has the molecular formula C6H14ClNO3S and a molecular weight of 215.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide
PubChem CID63396524
Molecular FormulaC6H14ClNO3S
Molecular Weight215.70 g/mol
Exact Mass215.04
IUPAC NameN-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)CCCl
InChIInChI=1S/C6H14ClNO3S/c1-8(4-3-7)12(9,10)6-5-11-2/h3-6H2,1-2H3
InChIKeyXWGTZKSNJGZVKB-UHFFFAOYSA-N
XLogP0.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide 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 N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide (CID 63396524) is N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide is COCCS(=O)(=O)N(C)CCCl.
What is the InChIKey of N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide?
The InChIKey is XWGTZKSNJGZVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO3S/c1-8(4-3-7)12(9,10)6-5-11-2/h3-6H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide?
N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide has a molecular weight of 215.70 g/mol, XLogP of 0.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methoxy-N-methylethanesulfonamide is sourced from PubChem (CID 63396524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).