2-methoxy-4,5-dimethylbenzenesulfonamide

C9H13NO3S — CID 27241719

IUPAC2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(N)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-6-4-8(13-3)9(5-7(6)2)14(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyMBCDWBHJYCWQJT-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.96
Rot. Bonds2

About 2-methoxy-4,5-dimethylbenzenesulfonamide

2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 27241719) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID27241719
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(N)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-6-4-8(13-3)9(5-7(6)2)14(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyMBCDWBHJYCWQJT-UHFFFAOYSA-N
XLogP0.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-4,5-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
4-cyano-2-methoxy-5-methylbenzenesulfonamide
CID 171026986
2-methoxy-4,5-dimethylbenzenesulfonohydrazide
CID 82081811
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
2,4,5-trimethylbenzenesulfonamide
CID 961422
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
1-methoxy-4,5-dimethyl-2-propan-2-ylsulfonylbenzene
CID 117031955
3-methoxy-2,4,5-trimethylbenzenesulfonamide
CID 175068082
(2-methoxy-4,5-dimethylphenyl)sulfonylmethanethiol
CID 117036874
methyl 2,4-dimethoxy-5-sulfamoylbenzoate
CID 63840880
4-bromo-2-methoxybenzenesulfonamide
CID 21129172

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethylbenzenesulfonamide (CID 27241719) is 2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is MBCDWBHJYCWQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-6-4-8(13-3)9(5-7(6)2)14(10,11)12/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of 2-methoxy-4,5-dimethylbenzenesulfonamide?
2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 27241719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).