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

C17H21NO4S — CID 110673807

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C17H21NO4S/c1-13-5-4-6-15(11-13)18-23(19,20)10-9-14-7-8-16(21-2)17(12-14)22-3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyNKBZGLHHNJKHQR-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.00
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide (PubChem CID 110673807) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
PubChem CID110673807
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2cccc(C)c2)cc1OC
InChIInChI=1S/C17H21NO4S/c1-13-5-4-6-15(11-13)18-23(19,20)10-9-14-7-8-16(21-2)17(12-14)22-3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyNKBZGLHHNJKHQR-UHFFFAOYSA-N
XLogP3.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethanesulfonamide
CID 110673808
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119
N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673839
N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
CID 110299349
2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide
CID 110673859
1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
CID 90949774
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673847
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
CID 146534327
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide
CID 112984101

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide (CID 110673807) is 2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)Nc2cccc(C)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide?
The InChIKey is NKBZGLHHNJKHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-13-5-4-6-15(11-13)18-23(19,20)10-9-14-7-8-16(21-2)17(12-14)22-3/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide?
2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 110673807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).