6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride

C10H5ClN2O4S — CID 15095648

IUPAC6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride
SMILES[N-]=[N+]=C1CC(=O)c2c(cccc2S(=O)(=O)Cl)C1=O
InChIInChI=1S/C10H5ClN2O4S/c11-18(16,17)8-3-1-2-5-9(8)7(14)4-6(13-12)10(5)15/h1-3H,4H2
InChIKeyIWGDEEBVWVFEBB-UHFFFAOYSA-N
MW284.68 g/mol
LogP1.05
Rot. Bonds1

About 6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride

6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride (PubChem CID 15095648) has the molecular formula C10H5ClN2O4S and a molecular weight of 284.68 g/mol. Its IUPAC name is 6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride
PubChem CID15095648
Molecular FormulaC10H5ClN2O4S
Molecular Weight284.68 g/mol
Exact Mass283.97
IUPAC Name6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride
SMILES[N-]=[N+]=C1CC(=O)c2c(cccc2S(=O)(=O)Cl)C1=O
InChIInChI=1S/C10H5ClN2O4S/c11-18(16,17)8-3-1-2-5-9(8)7(14)4-6(13-12)10(5)15/h1-3H,4H2
InChIKeyIWGDEEBVWVFEBB-UHFFFAOYSA-N
XLogP1.05
TPSA104.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.68
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride?
The IUPAC name of 6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride (CID 15095648) is 6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride?
The canonical SMILES for 6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride is [N-]=[N+]=C1CC(=O)c2c(cccc2S(=O)(=O)Cl)C1=O.
What is the InChIKey of 6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride?
The InChIKey is IWGDEEBVWVFEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O4S/c11-18(16,17)8-3-1-2-5-9(8)7(14)4-6(13-12)10(5)15/h1-3H,4H2.
What are the key properties of 6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride?
6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride has a molecular weight of 284.68 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-5,8-dioxonaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 15095648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).