3-(benzenesulfonyl)-1H-quinolin-4-one

C15H11NO3S — CID 6619653

IUPAC3-(benzenesulfonyl)-1H-quinolin-4-one
SMILESO=c1c(S(=O)(=O)c2ccccc2)c[nH]c2ccccc12
InChIInChI=1S/C15H11NO3S/c17-15-12-8-4-5-9-13(12)16-10-14(15)20(18,19)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChIKeyHKRPJNNJPHFLPC-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.36
Rot. Bonds2

About 3-(benzenesulfonyl)-1H-quinolin-4-one

3-(benzenesulfonyl)-1H-quinolin-4-one (PubChem CID 6619653) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1H-quinolin-4-one
PubChem CID6619653
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name3-(benzenesulfonyl)-1H-quinolin-4-one
SMILESO=c1c(S(=O)(=O)c2ccccc2)c[nH]c2ccccc12
InChIInChI=1S/C15H11NO3S/c17-15-12-8-4-5-9-13(12)16-10-14(15)20(18,19)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChIKeyHKRPJNNJPHFLPC-UHFFFAOYSA-N
XLogP2.36
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-5-chloro-1H-indole
CID 54518523
3-methylsulfonyl-1H-indole
CID 86767790
2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol
CID 58955092
3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one
CID 2136458
3-(4-piperazin-1-ylphenyl)sulfonyl-1H-indole
CID 10450002
1H-indole-3-sulfonohydrazide
CID 82284140
1,2-bis(benzenesulfonyl)benzene
CID 19980733
7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one
CID 22425128
3-(4-ethylphenyl)sulfonyl-6-hydroxy-1H-quinolin-4-one
CID 167344437
4-[(6-chloro-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile
CID 46507225
2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine
CID 24861016
N-chloro-1H-indole-3-sulfonamide
CID 90719858

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1H-quinolin-4-one?
The IUPAC name of 3-(benzenesulfonyl)-1H-quinolin-4-one (CID 6619653) is 3-(benzenesulfonyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1H-quinolin-4-one?
The canonical SMILES for 3-(benzenesulfonyl)-1H-quinolin-4-one is O=c1c(S(=O)(=O)c2ccccc2)c[nH]c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-1H-quinolin-4-one?
The InChIKey is HKRPJNNJPHFLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-15-12-8-4-5-9-13(12)16-10-14(15)20(18,19)11-6-2-1-3-7-11/h1-10H,(H,16,17).
What are the key properties of 3-(benzenesulfonyl)-1H-quinolin-4-one?
3-(benzenesulfonyl)-1H-quinolin-4-one has a molecular weight of 285.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1H-quinolin-4-one is sourced from PubChem (CID 6619653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).