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

C15H19N3O2S — CID 66387661

IUPAC5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccccc2N)ccc1C
InChIInChI=1S/C15H19N3O2S/c1-11-7-8-13(9-15(11)21(19,20)17-2)18-10-12-5-3-4-6-14(12)16/h3-9,17-18H,10,16H2,1-2H3
InChIKeyJHDAUONPZCUKAN-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.10
Rot. Bonds5

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

5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide (PubChem CID 66387661) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
PubChem CID66387661
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccccc2N)ccc1C
InChIInChI=1S/C15H19N3O2S/c1-11-7-8-13(9-15(11)21(19,20)17-2)18-10-12-5-3-4-6-14(12)16/h3-9,17-18H,10,16H2,1-2H3
InChIKeyJHDAUONPZCUKAN-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717522
N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline
CID 114250110
N-[(2-aminophenyl)methyl]-4-methyl-3-nitroaniline
CID 66387666
5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717493
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
2-amino-N-methyl-4-[(4-methylthiophen-3-yl)methylamino]benzenesulfonamide
CID 80646024
N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 43717517
2-(2-methoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9106782
5-[2-(tert-butylamino)ethylamino]-N,2-dimethylbenzenesulfonamide
CID 107445081
N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 104821897
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide (CID 66387661) is 5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(NCc2ccccc2N)ccc1C.
What is the InChIKey of 5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is JHDAUONPZCUKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-7-8-13(9-15(11)21(19,20)17-2)18-10-12-5-3-4-6-14(12)16/h3-9,17-18H,10,16H2,1-2H3.
What are the key properties of 5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 66387661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).