2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide

C15H18N2O3S — CID 80641737

IUPAC2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2cc(C)cc(C)c2)cc1N
InChIInChI=1S/C15H18N2O3S/c1-10-6-11(2)8-13(7-10)20-12-4-5-15(14(16)9-12)21(18,19)17-3/h4-9,17H,16H2,1-3H3
InChIKeyBXGREUSITNAPKG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide

2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide (PubChem CID 80641737) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide
PubChem CID80641737
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2cc(C)cc(C)c2)cc1N
InChIInChI=1S/C15H18N2O3S/c1-10-6-11(2)8-13(7-10)20-12-4-5-15(14(16)9-12)21(18,19)17-3/h4-9,17H,16H2,1-3H3
InChIKeyBXGREUSITNAPKG-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

2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 80646384
2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide
CID 116800594
2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide
CID 106596553
2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide
CID 80646385
5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide
CID 103287763
2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide
CID 102739860
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene
CID 118474119
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
CID 79467353
2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
CID 80642093
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide (CID 80641737) is 2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2cc(C)cc(C)c2)cc1N.
What is the InChIKey of 2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide?
The InChIKey is BXGREUSITNAPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-6-11(2)8-13(7-10)20-12-4-5-15(14(16)9-12)21(18,19)17-3/h4-9,17H,16H2,1-3H3.
What are the key properties of 2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide?
2-amino-4-(3,5-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 2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 80641737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).