3-sulfonylquinolin-2-one

C9H5NO3S — CID 87841725

IUPAC3-sulfonylquinolin-2-one
SMILESO=C1N=c2ccccc2=CC1=S(=O)=O
InChIInChI=1S/C9H5NO3S/c11-9-8(14(12)13)5-6-3-1-2-4-7(6)10-9/h1-5H
InChIKeyFMTZPNUESCOVAE-UHFFFAOYSA-N
MW207.21 g/mol
LogP-1.32
Rot. Bonds

About 3-sulfonylquinolin-2-one

3-sulfonylquinolin-2-one (PubChem CID 87841725) has the molecular formula C9H5NO3S and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-sulfonylquinolin-2-one.

Molecular Properties

Compound Name3-sulfonylquinolin-2-one
PubChem CID87841725
Molecular FormulaC9H5NO3S
Molecular Weight207.21 g/mol
Exact Mass207.00
IUPAC Name3-sulfonylquinolin-2-one
SMILESO=C1N=c2ccccc2=CC1=S(=O)=O
InChIInChI=1S/C9H5NO3S/c11-9-8(14(12)13)5-6-3-1-2-4-7(6)10-9/h1-5H
InChIKeyFMTZPNUESCOVAE-UHFFFAOYSA-N
XLogP-1.32
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-sulfonylquinolin-2-one?
The IUPAC name of 3-sulfonylquinolin-2-one (CID 87841725) is 3-sulfonylquinolin-2-one.
What is the SMILES notation for 3-sulfonylquinolin-2-one?
The canonical SMILES for 3-sulfonylquinolin-2-one is O=C1N=c2ccccc2=CC1=S(=O)=O.
What is the InChIKey of 3-sulfonylquinolin-2-one?
The InChIKey is FMTZPNUESCOVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO3S/c11-9-8(14(12)13)5-6-3-1-2-4-7(6)10-9/h1-5H.
What are the key properties of 3-sulfonylquinolin-2-one?
3-sulfonylquinolin-2-one has a molecular weight of 207.21 g/mol, XLogP of -1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfonylquinolin-2-one is sourced from PubChem (CID 87841725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).