7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one

C10H8ClNO4S — CID 54689450

IUPAC7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one
SMILESCS(=O)(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C10H8ClNO4S/c1-17(15,16)9-8(13)6-3-2-5(11)4-7(6)12-10(9)14/h2-4H,1H3,(H2,12,13,14)
InChIKeyJEFMADZMKSSBTD-UHFFFAOYSA-N
MW273.70 g/mol
LogP1.29
Rot. Bonds1

About 7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one

7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one (PubChem CID 54689450) has the molecular formula C10H8ClNO4S and a molecular weight of 273.70 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one
PubChem CID54689450
Molecular FormulaC10H8ClNO4S
Molecular Weight273.70 g/mol
Exact Mass272.99
IUPAC Name7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one
SMILESCS(=O)(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C10H8ClNO4S/c1-17(15,16)9-8(13)6-3-2-5(11)4-7(6)12-10(9)14/h2-4H,1H3,(H2,12,13,14)
InChIKeyJEFMADZMKSSBTD-UHFFFAOYSA-N
XLogP1.29
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one
CID 134910353
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
7-chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-hydroxy-1H-quinolin-2-one
CID 142676342
7-chloro-4-hydroxy-3-(2-methylphenyl)sulfanyl-1H-quinolin-2-one
CID 54704997
3-(4-bromophenyl)sulfanyl-7-chloro-4-hydroxy-1H-quinolin-2-one
CID 54704975
7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one
CID 54705006
7-chloro-3-cyclohexyl-4-hydroxy-1H-quinolin-2-one
CID 54737097
7-chloro-3-[4-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-4-hydroxy-1H-quinolin-2-one;methanesulfonic acid
CID 54684829
7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
CID 115043325
3-(1,3-benzodioxol-5-yl)-7-chloro-4-hydroxy-1H-quinolin-2-one
CID 54732078
7-chloro-4-hydroxy-3-[4-(1-phenylethenyl)phenyl]-1H-quinolin-2-one
CID 67690532
(7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate
CID 609460

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one (CID 54689450) is 7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one is CS(=O)(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one?
The InChIKey is JEFMADZMKSSBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO4S/c1-17(15,16)9-8(13)6-3-2-5(11)4-7(6)12-10(9)14/h2-4H,1H3,(H2,12,13,14).
What are the key properties of 7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one has a molecular weight of 273.70 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one is sourced from PubChem (CID 54689450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).