4-(2-sulfoethylsulfonyl)benzenediazonium

C8H9N2O5S2+ — CID 11809152

IUPAC4-(2-sulfoethylsulfonyl)benzenediazonium
SMILESN#[N+]c1ccc(S(=O)(=O)CCS(=O)(=O)O)cc1
InChIInChI=1S/C8H8N2O5S2/c9-10-7-1-3-8(4-2-7)16(11,12)5-6-17(13,14)15/h1-4H,5-6H2/p+1
InChIKeyCHLPQKOZWBSAGZ-UHFFFAOYSA-O
MW277.30 g/mol
LogP0.83
Rot. Bonds4

About 4-(2-sulfoethylsulfonyl)benzenediazonium

4-(2-sulfoethylsulfonyl)benzenediazonium (PubChem CID 11809152) has the molecular formula C8H9N2O5S2+ and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-(2-sulfoethylsulfonyl)benzenediazonium.

Molecular Properties

Compound Name4-(2-sulfoethylsulfonyl)benzenediazonium
PubChem CID11809152
Molecular FormulaC8H9N2O5S2+
Molecular Weight277.30 g/mol
Exact Mass276.99
IUPAC Name4-(2-sulfoethylsulfonyl)benzenediazonium
SMILESN#[N+]c1ccc(S(=O)(=O)CCS(=O)(=O)O)cc1
InChIInChI=1S/C8H8N2O5S2/c9-10-7-1-3-8(4-2-7)16(11,12)5-6-17(13,14)15/h1-4H,5-6H2/p+1
InChIKeyCHLPQKOZWBSAGZ-UHFFFAOYSA-O
XLogP0.83
TPSA116.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)sulfonylethanesulfonic acid
CID 21412922
4-sulfobenzenediazonium bromide
CID 11010880
4-diazoniobenzenesulfonate;hydrochloride
CID 170853368
4-diazoniobenzenesulfonate;hydron
CID 101327124
4-hydroxybenzenediazonium;sulfuric acid
CID 88765564
2-[4-[2-[2-[2-[2-[2-[4-(2-sulfoethylsulfonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]sulfonylethanesulfonic acid
CID 122471101
3-(4-methylphenyl)sulfonylpropane-1-sulfonic acid
CID 21412919
2-[4-[(4-aminobenzoyl)amino]phenyl]sulfonylethanesulfonic acid
CID 11257609
5-(4-fluorophenyl)sulfonylpentane-1-sulfonic acid
CID 123168445
4-(2-carboxyethyl)benzenediazonium;hydrogen sulfate
CID 24834554
4-diazoniobenzenesulfonate;hydron;tetrafluoroborate
CID 170841623
6-(benzenesulfonyl)hexane-1-sulfonic acid
CID 123592456

Frequently Asked Questions

What is the IUPAC name of 4-(2-sulfoethylsulfonyl)benzenediazonium?
The IUPAC name of 4-(2-sulfoethylsulfonyl)benzenediazonium (CID 11809152) is 4-(2-sulfoethylsulfonyl)benzenediazonium.
What is the SMILES notation for 4-(2-sulfoethylsulfonyl)benzenediazonium?
The canonical SMILES for 4-(2-sulfoethylsulfonyl)benzenediazonium is N#[N+]c1ccc(S(=O)(=O)CCS(=O)(=O)O)cc1.
What is the InChIKey of 4-(2-sulfoethylsulfonyl)benzenediazonium?
The InChIKey is CHLPQKOZWBSAGZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8N2O5S2/c9-10-7-1-3-8(4-2-7)16(11,12)5-6-17(13,14)15/h1-4H,5-6H2/p+1.
What are the key properties of 4-(2-sulfoethylsulfonyl)benzenediazonium?
4-(2-sulfoethylsulfonyl)benzenediazonium has a molecular weight of 277.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-sulfoethylsulfonyl)benzenediazonium is sourced from PubChem (CID 11809152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).