6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide

C15H17ClN2O2S — CID 43258446

IUPAC6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-6-13(17)15(11(9)3)21(19,20)18-14-7-5-12(16)8-10(14)2/h4-8,18H,17H2,1-3H3
InChIKeyALEHTPOYTQSCSA-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.65
Rot. Bonds3

About 6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide

6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 43258446) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
PubChem CID43258446
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C15H17ClN2O2S/c1-9-4-6-13(17)15(11(9)3)21(19,20)18-14-7-5-12(16)8-10(14)2/h4-8,18H,17H2,1-3H3
InChIKeyALEHTPOYTQSCSA-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43438179
6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258725
6-amino-N-(2,4-dibromophenyl)-2,3-dimethylbenzenesulfonamide
CID 61471930
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43258376
2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452452
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43257782
3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256506
2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79569031

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide (CID 43258446) is 6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)c1c(N)ccc(C)c1C.
What is the InChIKey of 6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is ALEHTPOYTQSCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9-4-6-13(17)15(11(9)3)21(19,20)18-14-7-5-12(16)8-10(14)2/h4-8,18H,17H2,1-3H3.
What are the key properties of 6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43258446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).