3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride

C10H5ClN2O4S — CID 23132617

IUPAC3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride
SMILES[N-]=[N+]=C1C(=O)c2ccccc2C(=O)C1S(=O)(=O)Cl
InChIInChI=1S/C10H5ClN2O4S/c11-18(16,17)10-7(13-12)8(14)5-3-1-2-4-6(5)9(10)15/h1-4,10H
InChIKeyNAOAMSZZEPAPNP-UHFFFAOYSA-N
MW284.68 g/mol
LogP0.67
Rot. Bonds1

About 3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride

3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride (PubChem CID 23132617) has the molecular formula C10H5ClN2O4S and a molecular weight of 284.68 g/mol. Its IUPAC name is 3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride
PubChem CID23132617
Molecular FormulaC10H5ClN2O4S
Molecular Weight284.68 g/mol
Exact Mass283.97
IUPAC Name3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride
SMILES[N-]=[N+]=C1C(=O)c2ccccc2C(=O)C1S(=O)(=O)Cl
InChIInChI=1S/C10H5ClN2O4S/c11-18(16,17)10-7(13-12)8(14)5-3-1-2-4-6(5)9(10)15/h1-4,10H
InChIKeyNAOAMSZZEPAPNP-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
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 3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride?
The IUPAC name of 3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride (CID 23132617) is 3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride.
What is the SMILES notation for 3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride?
The canonical SMILES for 3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride is [N-]=[N+]=C1C(=O)c2ccccc2C(=O)C1S(=O)(=O)Cl.
What is the InChIKey of 3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride?
The InChIKey is NAOAMSZZEPAPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O4S/c11-18(16,17)10-7(13-12)8(14)5-3-1-2-4-6(5)9(10)15/h1-4,10H.
What are the key properties of 3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride?
3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride has a molecular weight of 284.68 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-1,4-dioxonaphthalene-2-sulfonyl chloride is sourced from PubChem (CID 23132617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).