1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide

C12H18Cl2N2O3S — CID 120717866

IUPAC1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
SMILESCOCCNCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H18Cl2N2O3S/c1-19-5-4-15-2-3-16-20(17,18)9-10-6-11(13)8-12(14)7-10/h6-8,15-16H,2-5,9H2,1H3
InChIKeyXYLKUCHVQOPHOI-UHFFFAOYSA-N
MW341.26 g/mol
LogP1.65
Rot. Bonds9

About 1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide

1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide (PubChem CID 120717866) has the molecular formula C12H18Cl2N2O3S and a molecular weight of 341.26 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
PubChem CID120717866
Molecular FormulaC12H18Cl2N2O3S
Molecular Weight341.26 g/mol
Exact Mass340.04
IUPAC Name1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
SMILESCOCCNCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H18Cl2N2O3S/c1-19-5-4-15-2-3-16-20(17,18)9-10-6-11(13)8-12(14)7-10/h6-8,15-16H,2-5,9H2,1H3
InChIKeyXYLKUCHVQOPHOI-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039490
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride
CID 119972960
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 120717566
1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717949
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide;hydrochloride
CID 120717565
1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide
CID 119964749
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide
CID 83039199
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 75384497
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride
CID 120717380

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide (CID 120717866) is 1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide is COCCNCCNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
The InChIKey is XYLKUCHVQOPHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O3S/c1-19-5-4-15-2-3-16-20(17,18)9-10-6-11(13)8-12(14)7-10/h6-8,15-16H,2-5,9H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide?
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide has a molecular weight of 341.26 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 120717866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).