N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide

C19H26N2O4S2 — CID 16805346

IUPACN-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1c(C)cc(C)c(N(C)S(C)(=O)=O)c1C
InChIInChI=1S/C19H26N2O4S2/c1-12-9-8-10-13(2)17(12)20-27(24,25)19-15(4)11-14(3)18(16(19)5)21(6)26(7,22)23/h8-11,20H,1-7H3
InChIKeyVZHHQFQKAMCUEN-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.43
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide (PubChem CID 16805346) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide
PubChem CID16805346
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC NameN-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1c(C)cc(C)c(N(C)S(C)(=O)=O)c1C
InChIInChI=1S/C19H26N2O4S2/c1-12-9-8-10-13(2)17(12)20-27(24,25)19-15(4)11-14(3)18(16(19)5)21(6)26(7,22)23/h8-11,20H,1-7H3
InChIKeyVZHHQFQKAMCUEN-UHFFFAOYSA-N
XLogP3.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.43
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
2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 16805338
3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60532916
N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide
CID 166647420
5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
CID 2955900
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 60532632
N-(2,6-dimethylphenyl)sulfamoyl chloride
CID 84760590
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
N-[3-[(3-hydroxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]acetamide
CID 2996267

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide (CID 16805346) is N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1c(C)cc(C)c(N(C)S(C)(=O)=O)c1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide?
The InChIKey is VZHHQFQKAMCUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-12-9-8-10-13(2)17(12)20-27(24,25)19-15(4)11-14(3)18(16(19)5)21(6)26(7,22)23/h8-11,20H,1-7H3.
What are the key properties of N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide?
N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide has a molecular weight of 410.56 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide is sourced from PubChem (CID 16805346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).