3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide

C15H18N2O3S — CID 43715556

IUPAC3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCc2ccccc2O)c1
InChIInChI=1S/C15H18N2O3S/c1-17(2)21(19,20)14-8-5-7-13(10-14)16-11-12-6-3-4-9-15(12)18/h3-10,16,18H,11H2,1-2H3
InChIKeyJFCIXBNSXCUSPB-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.25
Rot. Bonds5

About 3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide

3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 43715556) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID43715556
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCc2ccccc2O)c1
InChIInChI=1S/C15H18N2O3S/c1-17(2)21(19,20)14-8-5-7-13(10-14)16-11-12-6-3-4-9-15(12)18/h3-10,16,18H,11H2,1-2H3
InChIKeyJFCIXBNSXCUSPB-UHFFFAOYSA-N
XLogP2.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43232434
3-[(2-bromo-5-methoxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 86815879
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43715592
3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 66414740
3-(heptylamino)-N,N-dimethylbenzenesulfonamide
CID 43715567
3-[(4-cyanothiophen-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79611395
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517945
3-[(2,3,4-trihydroxyphenyl)methylamino]benzenesulfonamide
CID 107730329
4-[(2-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43425513

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 43715556) is 3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NCc2ccccc2O)c1.
What is the InChIKey of 3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is JFCIXBNSXCUSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17(2)21(19,20)14-8-5-7-13(10-14)16-11-12-6-3-4-9-15(12)18/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43715556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).