2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide

C14H24N2O4S2 — CID 16805338

IUPAC2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C)c(C)c1N(C)S(C)(=O)=O
InChIInChI=1S/C14H24N2O4S2/c1-9(2)15-22(19,20)14-11(4)8-10(3)13(12(14)5)16(6)21(7,17)18/h8-9,15H,1-7H3
InChIKeyXMZBSZASCHVJFB-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.69
Rot. Bonds5

About 2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide

2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 16805338) has the molecular formula C14H24N2O4S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID16805338
Molecular FormulaC14H24N2O4S2
Molecular Weight348.49 g/mol
Exact Mass348.12
IUPAC Name2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C)c(C)c1N(C)S(C)(=O)=O
InChIInChI=1S/C14H24N2O4S2/c1-9(2)15-22(19,20)14-11(4)8-10(3)13(12(14)5)16(6)21(7,17)18/h8-9,15H,1-7H3
InChIKeyXMZBSZASCHVJFB-UHFFFAOYSA-N
XLogP1.69
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(hydrazinesulfonyl)-2,4,6-trimethylphenyl]-N-methylmethanesulfonamide
CID 71945599
N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide
CID 16805346
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 107326405
[3,5-dimethyl-4-(propan-2-ylsulfamoyl)phenyl]boronic acid
CID 91759493
3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 66486092
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
N-[(2R)-1-hydroxypropan-2-yl]-2,4,6-trimethyl-3-nitrobenzenesulfonamide
CID 104861889
3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 110758505
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79568750
3-amino-4-fluoro-2,6-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 107325562
4-amino-N-but-3-en-2-yl-2,6-dimethylbenzenesulfonamide
CID 113480780

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide (CID 16805338) is 2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(C)C)c(C)c1N(C)S(C)(=O)=O.
What is the InChIKey of 2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is XMZBSZASCHVJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S2/c1-9(2)15-22(19,20)14-11(4)8-10(3)13(12(14)5)16(6)21(7,17)18/h8-9,15H,1-7H3.
What are the key properties of 2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide?
2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 348.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 16805338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).