3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide

C12H21N3O4S2 — CID 106333290

IUPAC3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1c(C)cc(C)c(N)c1C
InChIInChI=1S/C12H21N3O4S2/c1-8-7-9(2)12(10(3)11(8)13)21(18,19)15-5-6-20(16,17)14-4/h7,14-15H,5-6,13H2,1-4H3
InChIKeyXVWOWMPHAYUXPF-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.02
Rot. Bonds6

About 3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide

3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 106333290) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID106333290
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC Name3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1c(C)cc(C)c(N)c1C
InChIInChI=1S/C12H21N3O4S2/c1-8-7-9(2)12(10(3)11(8)13)21(18,19)15-5-6-20(16,17)14-4/h7,14-15H,5-6,13H2,1-4H3
InChIKeyXVWOWMPHAYUXPF-UHFFFAOYSA-N
XLogP0.02
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.02
H-Bond Donors ≤ 53
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-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide
CID 113469282
3-amino-5-fluoro-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363
5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333323
3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333389
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
5-amino-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 114174781
2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106333992
2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333410
2-(3-amino-5-methylanilino)-N-methylethanesulfonamide
CID 106334106
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324523

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (CID 106333290) is 3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is CNS(=O)(=O)CCNS(=O)(=O)c1c(C)cc(C)c(N)c1C.
What is the InChIKey of 3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is XVWOWMPHAYUXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-8-7-9(2)12(10(3)11(8)13)21(18,19)15-5-6-20(16,17)14-4/h7,14-15H,5-6,13H2,1-4H3.
What are the key properties of 3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 335.45 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106333290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).