3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one

C15H13NO3S — CID 132850489

IUPAC3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1c2ccccc2NCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO3S/c17-15-12-8-4-5-9-13(12)16-10-14(15)20(18,19)11-6-2-1-3-7-11/h1-9,14,16H,10H2
InChIKeyRZCVEIZGACFQLH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.14
Rot. Bonds2

About 3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one

3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 132850489) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID132850489
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1c2ccccc2NCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO3S/c17-15-12-8-4-5-9-13(12)16-10-14(15)20(18,19)11-6-2-1-3-7-11/h1-9,14,16H,10H2
InChIKeyRZCVEIZGACFQLH-UHFFFAOYSA-N
XLogP2.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2,3-dihydro-1H-quinolin-4-one
CID 14714861
3-(benzenesulfonyl)pyrrolidin-2-one
CID 141214960
3-(benzenesulfonyl)-4-(3-piperidin-1-ylpropyl)-2,3-dihydro-1H-indole
CID 70931130
(4R)-4-(benzenesulfonyl)azetidin-2-one
CID 51374299
2-(3-methylphenyl)sulfonyl-2,3-dihydroinden-1-one
CID 156787077
[4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-piperidin-1-ylmethanone
CID 69427955
3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one
CID 139817344
3-(benzenesulfonylmethyl)-1,2,3,4-tetrahydroquinoline
CID 58241459
[4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
CID 69428960
3-(benzenesulfonyl)cyclopentan-1-one
CID 64722631
N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
CID 18177121
3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione
CID 14610963

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one (CID 132850489) is 3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one is O=C1c2ccccc2NCC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is RZCVEIZGACFQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-15-12-8-4-5-9-13(12)16-10-14(15)20(18,19)11-6-2-1-3-7-11/h1-9,14,16H,10H2.
What are the key properties of 3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one?
3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 287.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 132850489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).