1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide

C17H19Cl2NO4S — CID 92672393

IUPAC1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C17H19Cl2NO4S/c1-11(12-5-7-16(23-2)17(8-12)24-3)20-25(21,22)10-13-4-6-14(18)9-15(13)19/h4-9,11,20H,10H2,1-3H3/t11-/m1/s1
InChIKeyWBWKNHMJVJPZLF-LLVKDONJSA-N
MW404.32 g/mol
LogP4.19
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide

1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide (PubChem CID 92672393) has the molecular formula C17H19Cl2NO4S and a molecular weight of 404.32 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide
PubChem CID92672393
Molecular FormulaC17H19Cl2NO4S
Molecular Weight404.32 g/mol
Exact Mass403.04
IUPAC Name1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C17H19Cl2NO4S/c1-11(12-5-7-16(23-2)17(8-12)24-3)20-25(21,22)10-13-4-6-14(18)9-15(13)19/h4-9,11,20H,10H2,1-3H3/t11-/m1/s1
InChIKeyWBWKNHMJVJPZLF-LLVKDONJSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43905164
1-(2,4-dichlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanesulfonamide
CID 133230322
methyl 4-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoylmethyl]benzoate
CID 92646898
1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 38009978
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide
CID 2316867
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide
CID 133210545
[(2,4-dichlorophenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105301093
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide (CID 92672393) is 1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide is COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is WBWKNHMJVJPZLF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19Cl2NO4S/c1-11(12-5-7-16(23-2)17(8-12)24-3)20-25(21,22)10-13-4-6-14(18)9-15(13)19/h4-9,11,20H,10H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide?
1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 404.32 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 92672393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).