N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide

C11H15Cl2NO3S — CID 95762229

IUPACN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-8(14-18(15,16)6-5-17-2)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyDIIYKBLKVSSWNM-MRVPVSSYSA-N
MW312.22 g/mol
LogP2.62
Rot. Bonds6

About N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide (PubChem CID 95762229) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide
PubChem CID95762229
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)N[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-8(14-18(15,16)6-5-17-2)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyDIIYKBLKVSSWNM-MRVPVSSYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]ethanesulfonamide
CID 47108536
3-[1-(2,4-dichlorophenyl)ethylsulfamoyl]propanoic acid
CID 43095049
N-[1-(2,4-dichlorophenyl)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 106031101
N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047890
1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103864785
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119683876
2-methoxy-N-(1-phenylethyl)ethanesulfonamide
CID 71683981
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 54906241
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide
CID 81082315
methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate
CID 31761098
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 95733792
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide (CID 95762229) is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)N[C@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide?
The InChIKey is DIIYKBLKVSSWNM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-8(14-18(15,16)6-5-17-2)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide?
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 95762229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).