4-methoxy-2,3,6-trimethylbenzenesulfonamide

C10H15NO3S — CID 22614341

IUPAC4-methoxy-2,3,6-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C10H15NO3S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3,(H2,11,12,13)
InChIKeyRVZNHBVRNJINRI-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.27
Rot. Bonds2

About 4-methoxy-2,3,6-trimethylbenzenesulfonamide

4-methoxy-2,3,6-trimethylbenzenesulfonamide (PubChem CID 22614341) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-methoxy-2,3,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,6-trimethylbenzenesulfonamide
PubChem CID22614341
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-methoxy-2,3,6-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(N)(=O)=O)c(C)c1C
InChIInChI=1S/C10H15NO3S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3,(H2,11,12,13)
InChIKeyRVZNHBVRNJINRI-UHFFFAOYSA-N
XLogP1.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7,8-Trimethyl-2-(4-methylpentyl)-3,4-dihydrochromene-6-sulfonamide
CID 89943874
4-Methoxy-3-methylbenzenesulfonamide
CID 847787
4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride
CID 562787
N-(benzyloxy)-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 834802
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542
Methyl 2,3,5-trimethyl-4-(4-morpholinylsulfonyl)phenyl ether
CID 1085560
4-Methoxy-2-methylbenzenesulfonamide
CID 264648
1-[(4-Methoxy-2,3,5-trimethylphenyl)sulfonyl]pyrrolidine
CID 972180
US9156811, Ddd71291
CID 10381289
4-Methoxy-2,6-dimethylbenzene-1-sulfonyl chloride
CID 15917496
4-Methoxynaphthalene-1-sulfonyl chloride
CID 16775501
4-Methoxy-3,5-dimethylbenzenesulfonamide
CID 18962059

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,6-trimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,6-trimethylbenzenesulfonamide (CID 22614341) is 4-methoxy-2,3,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,6-trimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,6-trimethylbenzenesulfonamide is COc1cc(C)c(S(N)(=O)=O)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,6-trimethylbenzenesulfonamide?
The InChIKey is RVZNHBVRNJINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3,(H2,11,12,13).
What are the key properties of 4-methoxy-2,3,6-trimethylbenzenesulfonamide?
4-methoxy-2,3,6-trimethylbenzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 22614341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).