4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium

C10H13N2O4S+ — CID 20568681

IUPAC4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium
SMILESCOc1cc(S(=O)(=O)CCO)c(C)cc1[N+]#N
InChIInChI=1S/C10H13N2O4S/c1-7-5-8(12-11)9(16-2)6-10(7)17(14,15)4-3-13/h5-6,13H,3-4H2,1-2H3/q+1
InChIKeyAISPAIHJTLBBIU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.25
Rot. Bonds4

About 4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium

4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium (PubChem CID 20568681) has the molecular formula C10H13N2O4S+ and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium
PubChem CID20568681
Molecular FormulaC10H13N2O4S+
Molecular Weight257.29 g/mol
Exact Mass257.06
IUPAC Name4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium
SMILESCOc1cc(S(=O)(=O)CCO)c(C)cc1[N+]#N
InChIInChI=1S/C10H13N2O4S/c1-7-5-8(12-11)9(16-2)6-10(7)17(14,15)4-3-13/h5-6,13H,3-4H2,1-2H3/q+1
InChIKeyAISPAIHJTLBBIU-UHFFFAOYSA-N
XLogP1.25
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol
CID 116852786
2-methoxy-5-methyl-4-methylsulfonylbenzenediazonium
CID 20568679
2-methoxy-4-(2-methoxyethylsulfonyl)-5-methylaniline
CID 54414311
(4-ethylsulfonyl-2-methoxy-5-methylphenyl)methanediazonium
CID 88788816
3-(2,4,5-trimethylphenyl)sulfonylpropan-1-ol
CID 116853215
3-(4-methoxy-2,5-dimethylphenyl)sulfonylpropanenitrile
CID 28753127
3-(2-hydroxyethylsulfonyl)-4-methoxybenzoic acid
CID 43140684
3-(2-hydroxyethylsulfonyl)-4-methylbenzonitrile
CID 138630803
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
2-(2-methoxy-4-nitrophenyl)sulfonylethanol
CID 172600359
3-(2,5-dimethoxy-4-methylphenyl)sulfonylpropanenitrile
CID 116855325
2-methoxy-5-sulfobenzenediazonium
CID 134929744

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium?
The IUPAC name of 4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium (CID 20568681) is 4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium.
What is the SMILES notation for 4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium?
The canonical SMILES for 4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium is COc1cc(S(=O)(=O)CCO)c(C)cc1[N+]#N.
What is the InChIKey of 4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium?
The InChIKey is AISPAIHJTLBBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O4S/c1-7-5-8(12-11)9(16-2)6-10(7)17(14,15)4-3-13/h5-6,13H,3-4H2,1-2H3/q+1.
What are the key properties of 4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium?
4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium has a molecular weight of 257.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylbenzenediazonium is sourced from PubChem (CID 20568681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).