N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C19H25NO4S — CID 7938177

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-12-9-13(2)15(4)19(14(12)3)25(21,22)20-11-16-7-8-17(23-5)18(10-16)24-6/h7-10,20H,11H2,1-6H3
InChIKeyORYKYNZPUAISCS-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.42
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 7938177) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID7938177
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-12-9-13(2)15(4)19(14(12)3)25(21,22)20-11-16-7-8-17(23-5)18(10-16)24-6/h7-10,20H,11H2,1-6H3
InChIKeyORYKYNZPUAISCS-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206221
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[(3,4-dimethoxyphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 138550874
dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191339
N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 3350603
4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 3602682
N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide
CID 47371248
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852335
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate
CID 4157565
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 7938177) is N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide is COc1ccc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is ORYKYNZPUAISCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-12-9-13(2)15(4)19(14(12)3)25(21,22)20-11-16-7-8-17(23-5)18(10-16)24-6/h7-10,20H,11H2,1-6H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 7938177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).