4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide

C15H18N2O3S — CID 82902916

IUPAC4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C15H18N2O3S/c1-10-4-5-12(8-11(10)2)20-15-9-13(6-7-14(15)16)21(18,19)17-3/h4-9,17H,16H2,1-3H3
InChIKeyXHXLQYWWQWUXMD-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.59
Rot. Bonds4

About 4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide

4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide (PubChem CID 82902916) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide
PubChem CID82902916
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C15H18N2O3S/c1-10-4-5-12(8-11(10)2)20-15-9-13(6-7-14(15)16)21(18,19)17-3/h4-9,17H,16H2,1-3H3
InChIKeyXHXLQYWWQWUXMD-UHFFFAOYSA-N
XLogP2.59
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(2-fluoro-3-methylphenoxy)-N-methylbenzenesulfonamide
CID 107655559
4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide
CID 82900296
4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82900666
4-amino-3-(4-bromo-2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82902175
4-(3,4-dimethylphenoxy)-3-(methylaminomethyl)benzenesulfonamide
CID 44609064
4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide
CID 82900892
2-(3,4-dimethylphenoxy)-5-nitroaniline
CID 62507482
4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 82901458
4-amino-N-ethyl-3-(2-methylphenoxy)benzenesulfonamide
CID 82903326
4-amino-N-methyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82900533
4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442035
4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
CID 82901248

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide (CID 82902916) is 4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(Oc2ccc(C)c(C)c2)c1.
What is the InChIKey of 4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide?
The InChIKey is XHXLQYWWQWUXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-4-5-12(8-11(10)2)20-15-9-13(6-7-14(15)16)21(18,19)17-3/h4-9,17H,16H2,1-3H3.
What are the key properties of 4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide?
4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82902916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).