5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide

C15H18N2O2S — CID 29043173

IUPAC5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H18N2O2S/c1-10-7-8-13(16)9-14(10)20(18,19)17-15-11(2)5-4-6-12(15)3/h4-9,17H,16H2,1-3H3
InChIKeyHZWUCDJEZBFCCP-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.99
Rot. Bonds3

About 5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide

5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide (PubChem CID 29043173) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
PubChem CID29043173
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H18N2O2S/c1-10-7-8-13(16)9-14(10)20(18,19)17-15-11(2)5-4-6-12(15)3/h4-9,17H,16H2,1-3H3
InChIKeyHZWUCDJEZBFCCP-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.99
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

N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
5-amino-N-(2-bromo-6-fluorophenyl)-2-methylbenzenesulfonamide
CID 107596369
4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 43258104
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
5-amino-N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 106759348
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide
CID 43580304
2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 30049967
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide (CID 29043173) is 5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)Nc1c(C)cccc1C.
What is the InChIKey of 5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is HZWUCDJEZBFCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-7-8-13(16)9-14(10)20(18,19)17-15-11(2)5-4-6-12(15)3/h4-9,17H,16H2,1-3H3.
What are the key properties of 5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide?
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 29043173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).