N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide

C16H20N2O2S — CID 43717495

IUPACN,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccccc2C)ccc1C
InChIInChI=1S/C16H20N2O2S/c1-12-6-4-5-7-14(12)11-18-15-9-8-13(2)16(10-15)21(19,20)17-3/h4-10,17-18H,11H2,1-3H3
InChIKeyLDZMKNNFVQVWCR-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.82
Rot. Bonds5

About N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide

N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide (PubChem CID 43717495) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
PubChem CID43717495
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccccc2C)ccc1C
InChIInChI=1S/C16H20N2O2S/c1-12-6-4-5-7-14(12)11-18-15-9-8-13(2)16(10-15)21(19,20)17-3/h4-10,17-18H,11H2,1-3H3
InChIKeyLDZMKNNFVQVWCR-UHFFFAOYSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide 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

5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717522
5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 66387661
5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717493
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
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
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 N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide (CID 43717495) is N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(NCc2ccccc2C)ccc1C.
What is the InChIKey of N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide?
The InChIKey is LDZMKNNFVQVWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-6-4-5-7-14(12)11-18-15-9-8-13(2)16(10-15)21(19,20)17-3/h4-10,17-18H,11H2,1-3H3.
What are the key properties of N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide?
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 43717495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).