2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide

C17H21NO5S — CID 3852201

IUPAC2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H21NO5S/c1-12(13-5-7-14(21-2)8-6-13)18-24(19,20)17-11-15(22-3)9-10-16(17)23-4/h5-12,18H,1-4H3
InChIKeyNDVZZFQPTAJSNM-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.75
Rot. Bonds7

About 2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide

2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 3852201) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID3852201
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H21NO5S/c1-12(13-5-7-14(21-2)8-6-13)18-24(19,20)17-11-15(22-3)9-10-16(17)23-4/h5-12,18H,1-4H3
InChIKeyNDVZZFQPTAJSNM-UHFFFAOYSA-N
XLogP2.75
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204679
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
N-ethyl-4-methoxy-3-[1-(4-methoxyphenyl)ethylsulfamoyl]benzamide
CID 133239571
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 40790424

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide (CID 3852201) is 2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(C(C)NS(=O)(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is NDVZZFQPTAJSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-12(13-5-7-14(21-2)8-6-13)18-24(19,20)17-11-15(22-3)9-10-16(17)23-4/h5-12,18H,1-4H3.
What are the key properties of 2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide?
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3852201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).