N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide

C12H19NO5S — CID 110300105

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO5S/c1-16-6-7-19(14,15)13-9-10-4-5-11(17-2)12(8-10)18-3/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyBIMDCOJOHJKEKO-UHFFFAOYSA-N
MW289.35 g/mol
LogP0.77
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide (PubChem CID 110300105) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
PubChem CID110300105
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO5S/c1-16-6-7-19(14,15)13-9-10-4-5-11(17-2)12(8-10)18-3/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyBIMDCOJOHJKEKO-UHFFFAOYSA-N
XLogP0.77
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide
CID 47371248
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747
N-[(3,4-dimethoxyphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 138550874
1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
CID 46772712
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide
CID 55014687
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
N-[(3-amino-4-methoxyphenyl)methyl]-3-methylbutane-1-sulfonamide
CID 55259376
N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691685
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide
CID 110780051

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide (CID 110300105) is N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide?
The InChIKey is BIMDCOJOHJKEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S/c1-16-6-7-19(14,15)13-9-10-4-5-11(17-2)12(8-10)18-3/h4-5,8,13H,6-7,9H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide has a molecular weight of 289.35 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 110300105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).