2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide

C15H17NO4S — CID 22773637

IUPAC2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C15H17NO4S/c1-11-5-4-6-12(9-11)16-21(17,18)15-8-7-13(19-2)10-14(15)20-3/h4-10,16H,1-3H3
InChIKeyWAGAUYWDEMAKJK-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.81
Rot. Bonds5

About 2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide

2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 22773637) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
PubChem CID22773637
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C15H17NO4S/c1-11-5-4-6-12(9-11)16-21(17,18)15-8-7-13(19-2)10-14(15)20-3/h4-10,16H,1-3H3
InChIKeyWAGAUYWDEMAKJK-UHFFFAOYSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 110759298
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide (CID 22773637) is 2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(C)c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is WAGAUYWDEMAKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-11-5-4-6-12(9-11)16-21(17,18)15-8-7-13(19-2)10-14(15)20-3/h4-10,16H,1-3H3.
What are the key properties of 2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide?
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 22773637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).