4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide

C16H20N2O2S — CID 79557755

IUPAC4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)cc(N)cc2C)cc1C
InChIInChI=1S/C16H20N2O2S/c1-10-5-6-15(9-11(10)2)18-21(19,20)16-12(3)7-14(17)8-13(16)4/h5-9,18H,17H2,1-4H3
InChIKeyFKEVZNMPHKBTEP-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.30
Rot. Bonds3

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

4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 79557755) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID79557755
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)cc(N)cc2C)cc1C
InChIInChI=1S/C16H20N2O2S/c1-10-5-6-15(9-11(10)2)18-21(19,20)16-12(3)7-14(17)8-13(16)4/h5-9,18H,17H2,1-4H3
InChIKeyFKEVZNMPHKBTEP-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.30
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

4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79569216
4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79589093
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
4-amino-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2,6-dimethylbenzenesulfonamide
CID 67174381
2-amino-4,6-dichloro-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43255926
N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
CID 4793269
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421078

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide (CID 79557755) is 4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)cc(N)cc2C)cc1C.
What is the InChIKey of 4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is FKEVZNMPHKBTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-5-6-15(9-11(10)2)18-21(19,20)16-12(3)7-14(17)8-13(16)4/h5-9,18H,17H2,1-4H3.
What are the key properties of 4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide?
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79557755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).