2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium

C9H11N2O3S+ — CID 20568679

IUPAC2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium
SMILESCOc1cc(S(C)(=O)=O)c(C)cc1[N+]#N
InChIInChI=1S/C9H11N2O3S/c1-6-4-7(11-10)8(14-2)5-9(6)15(3,12)13/h4-5H,1-3H3/q+1
InChIKeyDGAFFYCWLYFEFF-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.89
Rot. Bonds2

About 2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium

2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium (PubChem CID 20568679) has the molecular formula C9H11N2O3S+ and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium.

Molecular Properties

Compound Name2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium
PubChem CID20568679
Molecular FormulaC9H11N2O3S+
Molecular Weight227.26 g/mol
Exact Mass227.05
IUPAC Name2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium
SMILESCOc1cc(S(C)(=O)=O)c(C)cc1[N+]#N
InChIInChI=1S/C9H11N2O3S/c1-6-4-7(11-10)8(14-2)5-9(6)15(3,12)13/h4-5H,1-3H3/q+1
InChIKeyDGAFFYCWLYFEFF-UHFFFAOYSA-N
XLogP1.89
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium
CID 20568681
1-tert-butyl-2-methoxy-5-methyl-4-methylsulfonylbenzene
CID 155748000
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
CID 82475781
2-methoxy-5-sulfobenzenediazonium
CID 134929744
(4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium
CID 88788816
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
4-methoxy-1-methyl-2-methylsulfonylbenzene
CID 20773204
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
2-methylsulfonylbenzenediazonium
CID 160989192
5-bromo-4-methoxy-2-methylbenzenediazonium
CID 87141398

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium?
The IUPAC name of 2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium (CID 20568679) is 2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium.
What is the SMILES notation for 2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium?
The canonical SMILES for 2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium is COc1cc(S(C)(=O)=O)c(C)cc1[N+]#N.
What is the InChIKey of 2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium?
The InChIKey is DGAFFYCWLYFEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2O3S/c1-6-4-7(11-10)8(14-2)5-9(6)15(3,12)13/h4-5H,1-3H3/q+1.
What are the key properties of 2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium?
2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium has a molecular weight of 227.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium is sourced from PubChem (CID 20568679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).