bis(benzenesulfonyl)methanediazonium

C13H11N2O4S2+ — CID 11515320

IUPACbis(benzenesulfonyl)methanediazonium
SMILESN#[N+]C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11N2O4S2/c14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10,13H/q+1
InChIKeyKYKHVQOQXKANNH-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.07
Rot. Bonds4

About bis(benzenesulfonyl)methanediazonium

bis(benzenesulfonyl)methanediazonium (PubChem CID 11515320) has the molecular formula C13H11N2O4S2+ and a molecular weight of 323.38 g/mol. Its IUPAC name is bis(benzenesulfonyl)methanediazonium.

Molecular Properties

Compound Namebis(benzenesulfonyl)methanediazonium
PubChem CID11515320
Molecular FormulaC13H11N2O4S2+
Molecular Weight323.38 g/mol
Exact Mass323.02
IUPAC Namebis(benzenesulfonyl)methanediazonium
SMILESN#[N+]C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11N2O4S2/c14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10,13H/q+1
InChIKeyKYKHVQOQXKANNH-UHFFFAOYSA-N
XLogP2.07
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(benzenesulfonyl)methanediazonium?
The IUPAC name of bis(benzenesulfonyl)methanediazonium (CID 11515320) is bis(benzenesulfonyl)methanediazonium.
What is the SMILES notation for bis(benzenesulfonyl)methanediazonium?
The canonical SMILES for bis(benzenesulfonyl)methanediazonium is N#[N+]C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of bis(benzenesulfonyl)methanediazonium?
The InChIKey is KYKHVQOQXKANNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O4S2/c14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10,13H/q+1.
What are the key properties of bis(benzenesulfonyl)methanediazonium?
bis(benzenesulfonyl)methanediazonium has a molecular weight of 323.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzenesulfonyl)methanediazonium is sourced from PubChem (CID 11515320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).