2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide

C11H15Cl2NO3S — CID 107651008

IUPAC2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide
SMILESCN(CCOc1ccccc1Cl)S(=O)(=O)CCCl
InChIInChI=1S/C11H15Cl2NO3S/c1-14(18(15,16)9-6-12)7-8-17-11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3
InChIKeyLJBXVXUIVJDVJE-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.22
Rot. Bonds7

About 2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide

2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide (PubChem CID 107651008) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide
PubChem CID107651008
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide
SMILESCN(CCOc1ccccc1Cl)S(=O)(=O)CCCl
InChIInChI=1S/C11H15Cl2NO3S/c1-14(18(15,16)9-6-12)7-8-17-11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3
InChIKeyLJBXVXUIVJDVJE-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83084968
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 107651171
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200106
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
3-(2-chlorophenoxy)propane-1-sulfonyl fluoride
CID 165461018
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
4-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]butane-1-sulfonamide
CID 116815366
2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
CID 63646826
2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691858

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide (CID 107651008) is 2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide is CN(CCOc1ccccc1Cl)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide?
The InChIKey is LJBXVXUIVJDVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-14(18(15,16)9-6-12)7-8-17-11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3.
What are the key properties of 2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide?
2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide is sourced from PubChem (CID 107651008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).