N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide

C9H20ClNO4S — CID 63400798

IUPACN-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CC(Cl)COC
InChIInChI=1S/C9H20ClNO4S/c1-4-15-5-6-16(12,13)11(2)7-9(10)8-14-3/h9H,4-8H2,1-3H3
InChIKeyCWMBHIMNYTWIMC-UHFFFAOYSA-N
MW273.78 g/mol
LogP0.54
Rot. Bonds9

About N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide

N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide (PubChem CID 63400798) has the molecular formula C9H20ClNO4S and a molecular weight of 273.78 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide
PubChem CID63400798
Molecular FormulaC9H20ClNO4S
Molecular Weight273.78 g/mol
Exact Mass273.08
IUPAC NameN-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CC(Cl)COC
InChIInChI=1S/C9H20ClNO4S/c1-4-15-5-6-16(12,13)11(2)7-9(10)8-14-3/h9H,4-8H2,1-3H3
InChIKeyCWMBHIMNYTWIMC-UHFFFAOYSA-N
XLogP0.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chloro-3-methoxypropyl)-2-ethoxy-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-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide (CID 63400798) is N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide is CCOCCS(=O)(=O)N(C)CC(Cl)COC.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide?
The InChIKey is CWMBHIMNYTWIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO4S/c1-4-15-5-6-16(12,13)11(2)7-9(10)8-14-3/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide?
N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide has a molecular weight of 273.78 g/mol, XLogP of 0.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2-ethoxy-N-methylethanesulfonamide is sourced from PubChem (CID 63400798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).