3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C17H21NO4S — CID 975397

IUPAC3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C17H21NO4S/c1-11-8-12(2)17(13(3)9-11)18-23(19,20)14-6-7-15(21-4)16(10-14)22-5/h6-10,18H,1-5H3
InChIKeyYGQHIUAZLRBBRI-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.43
Rot. Bonds5

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

3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 975397) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID975397
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C17H21NO4S/c1-11-8-12(2)17(13(3)9-11)18-23(19,20)14-6-7-15(21-4)16(10-14)22-5/h6-10,18H,1-5H3
InChIKeyYGQHIUAZLRBBRI-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 2906141
1-(3,4-Dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 1262214
3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 740560
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-(2-Biphenylyl)-4-methoxybenzenesulfonamide
CID 3333876
NJ65Yjm5PE
CID 5353770
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 796476
N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 900631
N-{4-[(2,6-dimethylphenyl)sulfamoyl]phenyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1160898
N-(4-fluoro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 118707082
4-methoxy-N-(4-methoxy-2,6-dimethylphenyl)benzenesulfonamide
CID 118707084
N-(2,6-dimethyl-4-prop-2-enylphenyl)-4-methoxybenzenesulfonamide
CID 118707173

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 975397) is 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is YGQHIUAZLRBBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-11-8-12(2)17(13(3)9-11)18-23(19,20)14-6-7-15(21-4)16(10-14)22-5/h6-10,18H,1-5H3.
What are the key properties of 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide has a molecular weight of 335.43 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 3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 975397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).