N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide

C17H21NO5S — CID 110423119

IUPACN-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H21NO5S/c1-21-15-6-4-5-13(11-15)9-10-24(19,20)18-14-7-8-16(22-2)17(12-14)23-3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyOJJVZXUIZGWWFP-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.70
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide

N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide (PubChem CID 110423119) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
PubChem CID110423119
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H21NO5S/c1-21-15-6-4-5-13(11-15)9-10-24(19,20)18-14-7-8-16(22-2)17(12-14)23-3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyOJJVZXUIZGWWFP-UHFFFAOYSA-N
XLogP2.70
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423627
2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
CID 110673807
2-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethanesulfonamide
CID 110673808
N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673839
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110426046
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
CID 110406486
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408195
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide (CID 110423119) is N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide is COc1cccc(CCS(=O)(=O)Nc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
The InChIKey is OJJVZXUIZGWWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-21-15-6-4-5-13(11-15)9-10-24(19,20)18-14-7-8-16(22-2)17(12-14)23-3/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 2.70, 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)-2-(3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110423119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).