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

C15H18N2O3S — CID 43257405

IUPAC3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2c(C)ccc(N)c2C)c1
InChIInChI=1S/C15H18N2O3S/c1-10-7-8-14(16)11(2)15(10)21(18,19)17-12-5-4-6-13(9-12)20-3/h4-9,17H,16H2,1-3H3
InChIKeyVQTAENGWEHGDMO-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.70
Rot. Bonds4

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

3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 43257405) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID43257405
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2c(C)ccc(N)c2C)c1
InChIInChI=1S/C15H18N2O3S/c1-10-7-8-14(16)11(2)15(10)21(18,19)17-12-5-4-6-13(9-12)20-3/h4-9,17H,16H2,1-3H3
InChIKeyVQTAENGWEHGDMO-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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

3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
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-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide
CID 107596340
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 29042708
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide (CID 43257405) is 3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide is COc1cccc(NS(=O)(=O)c2c(C)ccc(N)c2C)c1.
What is the InChIKey of 3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is VQTAENGWEHGDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-7-8-14(16)11(2)15(10)21(18,19)17-12-5-4-6-13(9-12)20-3/h4-9,17H,16H2,1-3H3.
What are the key properties of 3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 43257405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).