N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide

C16H10N2O4S2 — CID 1094888

IUPACN-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide
SMILESO=c1oc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2s1
InChIInChI=1S/C16H10N2O4S2/c19-16-22-12-7-6-11(9-13(12)23-16)18-24(20,21)14-5-1-3-10-4-2-8-17-15(10)14/h1-9,18H
InChIKeyFVKKHFZPJJLRCB-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.20
Rot. Bonds3

About N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide

N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide (PubChem CID 1094888) has the molecular formula C16H10N2O4S2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide
PubChem CID1094888
Molecular FormulaC16H10N2O4S2
Molecular Weight358.40 g/mol
Exact Mass358.01
IUPAC NameN-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide
SMILESO=c1oc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2s1
InChIInChI=1S/C16H10N2O4S2/c19-16-22-12-7-6-11(9-13(12)23-16)18-24(20,21)14-5-1-3-10-4-2-8-17-15(10)14/h1-9,18H
InChIKeyFVKKHFZPJJLRCB-UHFFFAOYSA-N
XLogP3.20
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_carbonate_A(15)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide (CID 1094888) is N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide is O=c1oc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2s1.
What is the InChIKey of N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide?
The InChIKey is FVKKHFZPJJLRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O4S2/c19-16-22-12-7-6-11(9-13(12)23-16)18-24(20,21)14-5-1-3-10-4-2-8-17-15(10)14/h1-9,18H.
What are the key properties of N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide?
N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide has a molecular weight of 358.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-benzoxathiol-5-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 1094888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).