7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate

C17H12NO6S- — CID 54713776

IUPAC7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate
SMILESCc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)O)cc3[nH]c2=O)cc1
InChIInChI=1S/C17H13NO6S/c1-9-2-5-11(6-3-9)25(23,24)15-14(19)12-7-4-10(17(21)22)8-13(12)18-16(15)20/h2-8H,1H3,(H,21,22)(H2,18,19,20)/p-1
InChIKeyOXSWMKYTXNYKRA-UHFFFAOYSA-M
MW358.35 g/mol
LogP1.44
Rot. Bonds3

About 7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate

7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate (PubChem CID 54713776) has the molecular formula C17H12NO6S- and a molecular weight of 358.35 g/mol. Its IUPAC name is 7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate.

Molecular Properties

Compound Name7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate
PubChem CID54713776
Molecular FormulaC17H12NO6S-
Molecular Weight358.35 g/mol
Exact Mass358.04
IUPAC Name7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate
SMILESCc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)O)cc3[nH]c2=O)cc1
InChIInChI=1S/C17H13NO6S/c1-9-2-5-11(6-3-9)25(23,24)15-14(19)12-7-4-10(17(21)22)8-13(12)18-16(15)20/h2-8H,1H3,(H,21,22)(H2,18,19,20)/p-1
InChIKeyOXSWMKYTXNYKRA-UHFFFAOYSA-M
XLogP1.44
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-(4-methylphenyl)sulfonyl-7-(morpholine-4-carbonyl)-1H-quinolin-2-one
CID 54710125
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
CID 54687803
3-(benzenesulfonyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 54687792
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 54687793
3-(benzenesulfonyl)-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1H-quinoline-7-carboxamide
CID 54720238
6-(4-methylphenyl)sulfonylnaphthalene-2-carboxylic acid
CID 101126034
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
CID 158355468
CID 158355468
3-(benzenesulfonyl)-7-[4-(dimethylamino)phenyl]-4-hydroxy-1H-quinolin-2-one
CID 158349800
3-formamido-4-hydroxy-2-oxo-1H-quinoline-7-carboxylic acid
CID 110170988
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
bis(4-methylphenyl)methanone;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2,3,4,5-tetramethylcyclopenta-2,4-dien-1-one;1,4-xylene
CID 158258142

Frequently Asked Questions

What is the IUPAC name of 7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate?
The IUPAC name of 7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate (CID 54713776) is 7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate.
What is the SMILES notation for 7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate?
The canonical SMILES for 7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate is Cc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)O)cc3[nH]c2=O)cc1.
What is the InChIKey of 7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate?
The InChIKey is OXSWMKYTXNYKRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13NO6S/c1-9-2-5-11(6-3-9)25(23,24)15-14(19)12-7-4-10(17(21)22)8-13(12)18-16(15)20/h2-8H,1H3,(H,21,22)(H2,18,19,20)/p-1.
What are the key properties of 7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate?
7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate has a molecular weight of 358.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carboxy-3-(4-methylphenyl)sulfonyl-2-oxo-1H-quinolin-4-olate is sourced from PubChem (CID 54713776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).