4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide

C15H17NO3S — CID 43436537

IUPAC4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
SMILESCc1ccc(Oc2ccc(S(N)(=O)=O)c(C)c2)cc1C
InChIInChI=1S/C15H17NO3S/c1-10-4-5-13(8-11(10)2)19-14-6-7-15(12(3)9-14)20(16,17)18/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyNBZIHKKDENUHMU-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.05
Rot. Bonds3

About 4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide

4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide (PubChem CID 43436537) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
PubChem CID43436537
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
SMILESCc1ccc(Oc2ccc(S(N)(=O)=O)c(C)c2)cc1C
InChIInChI=1S/C15H17NO3S/c1-10-4-5-13(8-11(10)2)19-14-6-7-15(12(3)9-14)20(16,17)18/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyNBZIHKKDENUHMU-UHFFFAOYSA-N
XLogP3.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide 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-(4-cyanophenoxy)-2-methylbenzenesulfonamide
CID 43436544
4-(2-methoxyphenoxy)-2-methylbenzenesulfonamide
CID 43436547
4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbenzenesulfonamide
CID 43436560
4-(3-ethoxyphenoxy)-2-methylbenzenesulfonamide
CID 62337650
4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide
CID 63985143
4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide
CID 43436524
4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide
CID 43436555
4-(2-fluoroethoxy)-2-methylbenzenesulfonamide
CID 80694123
2-(3-methyl-4-sulfamoylphenoxy)propanamide
CID 82915497
2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide
CID 79467348
4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide
CID 82914363
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide (CID 43436537) is 4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide is Cc1ccc(Oc2ccc(S(N)(=O)=O)c(C)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide?
The InChIKey is NBZIHKKDENUHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-4-5-13(8-11(10)2)19-14-6-7-15(12(3)9-14)20(16,17)18/h4-9H,1-3H3,(H2,16,17,18).
What are the key properties of 4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide?
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43436537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).