2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide

C18H23NO5S — CID 90598905

IUPAC2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(OC)c2ccccc2C)c(OC)c1
InChIInChI=1S/C18H23NO5S/c1-13-7-5-6-8-15(13)17(24-4)12-19-25(20,21)18-10-9-14(22-2)11-16(18)23-3/h5-11,17,19H,12H2,1-4H3
InChIKeyZPGFTDHRNYMGBB-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.68
Rot. Bonds8

About 2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide

2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 90598905) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID90598905
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(OC)c2ccccc2C)c(OC)c1
InChIInChI=1S/C18H23NO5S/c1-13-7-5-6-8-15(13)17(24-4)12-19-25(20,21)18-10-9-14(22-2)11-16(18)23-3/h5-11,17,19H,12H2,1-4H3
InChIKeyZPGFTDHRNYMGBB-UHFFFAOYSA-N
XLogP2.68
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 90623505
5-chloro-2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598909
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 90598879
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 90598088
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide (CID 90598905) is 2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(OC)c2ccccc2C)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is ZPGFTDHRNYMGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-13-7-5-6-8-15(13)17(24-4)12-19-25(20,21)18-10-9-14(22-2)11-16(18)23-3/h5-11,17,19H,12H2,1-4H3.
What are the key properties of 2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90598905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).