2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C17H21NO3S — CID 50876761

IUPAC2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C17H21NO3S/c1-11-6-7-16(15(10-11)21-5)22(19,20)18-17-13(3)8-12(2)9-14(17)4/h6-10,18H,1-5H3
InChIKeyZMSZQNHAVOONNT-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.73
Rot. Bonds4

About 2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide

2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 50876761) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID50876761
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1cc(C)ccc1S(=O)(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C17H21NO3S/c1-11-6-7-16(15(10-11)21-5)22(19,20)18-17-13(3)8-12(2)9-14(17)4/h6-10,18H,1-5H3
InChIKeyZMSZQNHAVOONNT-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078
N-(4-iodophenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876651
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
N-[3-methoxy-4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 45110911
2-methoxy-4-methylbenzenesulfonyl fluoride
CID 141209179
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 172906645
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 74225212
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide
CID 22206049

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 50876761) is 2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide is COc1cc(C)ccc1S(=O)(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is ZMSZQNHAVOONNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-11-6-7-16(15(10-11)21-5)22(19,20)18-17-13(3)8-12(2)9-14(17)4/h6-10,18H,1-5H3.
What are the key properties of 2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 50876761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).