5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide

C15H18N2O3S — CID 43717522

IUPAC5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccccc2O)ccc1C
InChIInChI=1S/C15H18N2O3S/c1-11-7-8-13(9-15(11)21(19,20)16-2)17-10-12-5-3-4-6-14(12)18/h3-9,16-18H,10H2,1-2H3
InChIKeyXGSIWYDFZRKSAF-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.22
Rot. Bonds5

About 5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide

5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide (PubChem CID 43717522) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
PubChem CID43717522
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccccc2O)ccc1C
InChIInChI=1S/C15H18N2O3S/c1-11-7-8-13(9-15(11)21(19,20)16-2)17-10-12-5-3-4-6-14(12)18/h3-9,16-18H,10H2,1-2H3
InChIKeyXGSIWYDFZRKSAF-UHFFFAOYSA-N
XLogP2.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 66387661
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
2-(2-methoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9106782
5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717493
N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 43717517
5-[2-(tert-butylamino)ethylamino]-N,2-dimethylbenzenesulfonamide
CID 107445081
2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279
N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 104821897
N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400218
N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43717561
N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747342

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide (CID 43717522) is 5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(NCc2ccccc2O)ccc1C.
What is the InChIKey of 5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is XGSIWYDFZRKSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-7-8-13(9-15(11)21(19,20)16-2)17-10-12-5-3-4-6-14(12)18/h3-9,16-18H,10H2,1-2H3.
What are the key properties of 5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 43717522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).