2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide

C13H12Cl2N2O2S — CID 43452452

IUPAC2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-3-2-4-11(16)13(8)20(18,19)17-12-6-5-9(14)7-10(12)15/h2-7,17H,16H2,1H3
InChIKeyPOJYSOGFPDDSOF-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.68
Rot. Bonds3

About 2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide

2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide (PubChem CID 43452452) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
PubChem CID43452452
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-3-2-4-11(16)13(8)20(18,19)17-12-6-5-9(14)7-10(12)15/h2-7,17H,16H2,1H3
InChIKeyPOJYSOGFPDDSOF-UHFFFAOYSA-N
XLogP3.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide 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

2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 43256363
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258446
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79569031
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
CID 43452387
3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257589
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 61105602
2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62810748
2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452412
6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43438179

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide (CID 43452452) is 2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide?
The InChIKey is POJYSOGFPDDSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-8-3-2-4-11(16)13(8)20(18,19)17-12-6-5-9(14)7-10(12)15/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide?
2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 43452452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).