9-oxo-10H-acridine-2-sulfonyl chloride

C13H8ClNO3S — CID 59000158

IUPAC9-oxo-10H-acridine-2-sulfonyl chloride
SMILESO=c1c2ccccc2[nH]c2ccc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C13H8ClNO3S/c14-19(17,18)8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h1-7H,(H,15,16)
InChIKeyUKYGXTOULOEDCQ-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.61
Rot. Bonds1

About 9-oxo-10H-acridine-2-sulfonyl chloride

9-oxo-10H-acridine-2-sulfonyl chloride (PubChem CID 59000158) has the molecular formula C13H8ClNO3S and a molecular weight of 293.73 g/mol. Its IUPAC name is 9-oxo-10H-acridine-2-sulfonyl chloride.

Molecular Properties

Compound Name9-oxo-10H-acridine-2-sulfonyl chloride
PubChem CID59000158
Molecular FormulaC13H8ClNO3S
Molecular Weight293.73 g/mol
Exact Mass292.99
IUPAC Name9-oxo-10H-acridine-2-sulfonyl chloride
SMILESO=c1c2ccccc2[nH]c2ccc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C13H8ClNO3S/c14-19(17,18)8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h1-7H,(H,15,16)
InChIKeyUKYGXTOULOEDCQ-UHFFFAOYSA-N
XLogP2.61
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-10H-acridine-2-sulfonyl chloride?
The IUPAC name of 9-oxo-10H-acridine-2-sulfonyl chloride (CID 59000158) is 9-oxo-10H-acridine-2-sulfonyl chloride.
What is the SMILES notation for 9-oxo-10H-acridine-2-sulfonyl chloride?
The canonical SMILES for 9-oxo-10H-acridine-2-sulfonyl chloride is O=c1c2ccccc2[nH]c2ccc(S(=O)(=O)Cl)cc12.
What is the InChIKey of 9-oxo-10H-acridine-2-sulfonyl chloride?
The InChIKey is UKYGXTOULOEDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3S/c14-19(17,18)8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h1-7H,(H,15,16).
What are the key properties of 9-oxo-10H-acridine-2-sulfonyl chloride?
9-oxo-10H-acridine-2-sulfonyl chloride has a molecular weight of 293.73 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-10H-acridine-2-sulfonyl chloride is sourced from PubChem (CID 59000158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).