4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C11H18N2O4S2 — CID 79588681

IUPAC4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NCCS(C)(=O)=O
InChIInChI=1S/C11H18N2O4S2/c1-8-6-10(12)7-9(2)11(8)19(16,17)13-4-5-18(3,14)15/h6-7,13H,4-5,12H2,1-3H3
InChIKeyGJEWFYTVPMEKLT-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.21
Rot. Bonds5

About 4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 79588681) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID79588681
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NCCS(C)(=O)=O
InChIInChI=1S/C11H18N2O4S2/c1-8-6-10(12)7-9(2)11(8)19(16,17)13-4-5-18(3,14)15/h6-7,13H,4-5,12H2,1-3H3
InChIKeyGJEWFYTVPMEKLT-UHFFFAOYSA-N
XLogP0.21
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 79589376
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324523
3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333290
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79588588
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425511
4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79570352
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 79570103
4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide
CID 79588525
3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165069

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 79588681) is 4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NCCS(C)(=O)=O.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is GJEWFYTVPMEKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-8-6-10(12)7-9(2)11(8)19(16,17)13-4-5-18(3,14)15/h6-7,13H,4-5,12H2,1-3H3.
What are the key properties of 4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 79588681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).