4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C18H23NO3S — CID 100710078

IUPAC4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)c1C
InChIInChI=1S/C18H23NO3S/c1-11-9-12(2)18(13(3)10-11)19-23(20,21)17-8-7-16(22-6)14(4)15(17)5/h7-10,19H,1-6H3
InChIKeyJDJGRJILZRNECZ-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.04
Rot. Bonds4

About 4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide

4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 100710078) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID100710078
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)c1C
InChIInChI=1S/C18H23NO3S/c1-11-9-12(2)18(13(3)10-11)19-23(20,21)17-8-7-16(22-6)14(4)15(17)5/h7-10,19H,1-6H3
InChIKeyJDJGRJILZRNECZ-UHFFFAOYSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490430
2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
N-(2,6-difluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490419
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 74225212
1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide
CID 25043994
4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 15944036
4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 100516902
N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969889
N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133161577
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300241
N-[3-methoxy-4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 45110911

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 100710078) is 4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is JDJGRJILZRNECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-11-9-12(2)18(13(3)10-11)19-23(20,21)17-8-7-16(22-6)14(4)15(17)5/h7-10,19H,1-6H3.
What are the key properties of 4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 100710078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).