3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide

C16H20N2O2S — CID 43257720

IUPAC3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2c(C)ccc(N)c2C)c1
InChIInChI=1S/C16H20N2O2S/c1-10-7-11(2)9-14(8-10)18-21(19,20)16-12(3)5-6-15(17)13(16)4/h5-9,18H,17H2,1-4H3
InChIKeyUMIXQNKQGOJNKX-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.30
Rot. Bonds3

About 3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide

3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 43257720) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID43257720
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2c(C)ccc(N)c2C)c1
InChIInChI=1S/C16H20N2O2S/c1-10-7-11(2)9-14(8-10)18-21(19,20)16-12(3)5-6-15(17)13(16)4/h5-9,18H,17H2,1-4H3
InChIKeyUMIXQNKQGOJNKX-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

3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
3-amino-N-(2,6-dibromophenyl)-2,6-dimethylbenzenesulfonamide
CID 107596340
3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257405
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257589
6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
CID 43257564
3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
CID 43256969

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide (CID 43257720) is 3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2c(C)ccc(N)c2C)c1.
What is the InChIKey of 3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is UMIXQNKQGOJNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-7-11(2)9-14(8-10)18-21(19,20)16-12(3)5-6-15(17)13(16)4/h5-9,18H,17H2,1-4H3.
What are the key properties of 3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(3,5-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 3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 43257720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).