1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one

C18H16ClNO4S — CID 110612575

IUPAC1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)CCS(=O)(=O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C18H16ClNO4S/c19-13-4-3-5-14(12-13)25(23,24)11-9-18(22)20-10-8-17(21)15-6-1-2-7-16(15)20/h1-7,12H,8-11H2
InChIKeyBHROXMZKLZHCCN-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.12
Rot. Bonds4

About 1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one

1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one (PubChem CID 110612575) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one
PubChem CID110612575
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)CCS(=O)(=O)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C18H16ClNO4S/c19-13-4-3-5-14(12-13)25(23,24)11-9-18(22)20-10-8-17(21)15-6-1-2-7-16(15)20/h1-7,12H,8-11H2
InChIKeyBHROXMZKLZHCCN-UHFFFAOYSA-N
XLogP3.12
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one (CID 110612575) is 1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)CCS(=O)(=O)c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one?
The InChIKey is BHROXMZKLZHCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c19-13-4-3-5-14(12-13)25(23,24)11-9-18(22)20-10-8-17(21)15-6-1-2-7-16(15)20/h1-7,12H,8-11H2.
What are the key properties of 1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one?
1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one has a molecular weight of 377.85 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)sulfonylpropanoyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110612575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).