3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide

C14H16N2O3S — CID 61166903

IUPAC3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H16N2O3S/c1-9-6-7-13(15)10(2)14(9)20(18,19)16-11-4-3-5-12(17)8-11/h3-8,16-17H,15H2,1-2H3
InChIKeyVEXWNHPLMWEGMC-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.39
Rot. Bonds3

About 3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide

3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 61166903) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID61166903
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H16N2O3S/c1-9-6-7-13(15)10(2)14(9)20(18,19)16-11-4-3-5-12(17)8-11/h3-8,16-17H,15H2,1-2H3
InChIKeyVEXWNHPLMWEGMC-UHFFFAOYSA-N
XLogP2.39
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257405
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257720
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764
3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide
CID 107596340
N-[3-[(3-hydroxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]acetamide
CID 2996267
4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107326957
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
3-amino-N-(3-hydroxyphenyl)-N,2,6-trimethylbenzenesulfonamide
CID 107733521
N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 43602656
2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61167481

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide (CID 61166903) is 3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)Nc1cccc(O)c1.
What is the InChIKey of 3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is VEXWNHPLMWEGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-6-7-13(15)10(2)14(9)20(18,19)16-11-4-3-5-12(17)8-11/h3-8,16-17H,15H2,1-2H3.
What are the key properties of 3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 61166903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).