N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide

C7H16ClNO3S — CID 63396523

IUPACN-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CCCl
InChIInChI=1S/C7H16ClNO3S/c1-3-12-6-7-13(10,11)9(2)5-4-8/h3-7H2,1-2H3
InChIKeyUTNOIKOBEBQTLS-UHFFFAOYSA-N
MW229.73 g/mol
LogP0.52
Rot. Bonds7

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

N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide (PubChem CID 63396523) has the molecular formula C7H16ClNO3S and a molecular weight of 229.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide
PubChem CID63396523
Molecular FormulaC7H16ClNO3S
Molecular Weight229.73 g/mol
Exact Mass229.05
IUPAC NameN-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CCCl
InChIInChI=1S/C7H16ClNO3S/c1-3-12-6-7-13(10,11)9(2)5-4-8/h3-7H2,1-2H3
InChIKeyUTNOIKOBEBQTLS-UHFFFAOYSA-N
XLogP0.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide (CID 63396523) is N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide is CCOCCS(=O)(=O)N(C)CCCl.
What is the InChIKey of N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide?
The InChIKey is UTNOIKOBEBQTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO3S/c1-3-12-6-7-13(10,11)9(2)5-4-8/h3-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide?
N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide has a molecular weight of 229.73 g/mol, XLogP of 0.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide is sourced from PubChem (CID 63396523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).