2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid

C18H13ClN2O6S — CID 19692182

IUPAC2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2cc1O
InChIInChI=1S/C18H13ClN2O6S/c19-11-1-3-12(4-2-11)28(26,27)13-5-6-14-10(7-13)8-15(22)17(21-14)18(25)20-9-16(23)24/h1-8,22H,9H2,(H,20,25)(H,23,24)
InChIKeyFXAFCZSXPGIQNG-UHFFFAOYSA-N
MW420.83 g/mol
LogP2.24
Rot. Bonds5

About 2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid

2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid (PubChem CID 19692182) has the molecular formula C18H13ClN2O6S and a molecular weight of 420.83 g/mol. Its IUPAC name is 2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
PubChem CID19692182
Molecular FormulaC18H13ClN2O6S
Molecular Weight420.83 g/mol
Exact Mass420.02
IUPAC Name2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2cc1O
InChIInChI=1S/C18H13ClN2O6S/c19-11-1-3-12(4-2-11)28(26,27)13-5-6-14-10(7-13)8-15(22)17(21-14)18(25)20-9-16(23)24/h1-8,22H,9H2,(H,20,25)(H,23,24)
InChIKeyFXAFCZSXPGIQNG-UHFFFAOYSA-N
XLogP2.24
TPSA133.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.83
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
CID 19692194
2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid
CID 19698626
benzyl 2-[[6-(benzenesulfonyl)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692238
2-[[5-(4-chlorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134478916
2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
CID 15858288
2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
CID 19692174
2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid
CID 22301669
2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 10003065
4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol
CID 19710946
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576
N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2,3,4-trihydroxybenzamide
CID 58626244
5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301360

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid (CID 19692182) is 2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1nc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2cc1O.
What is the InChIKey of 2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
The InChIKey is FXAFCZSXPGIQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O6S/c19-11-1-3-12(4-2-11)28(26,27)13-5-6-14-10(7-13)8-15(22)17(21-14)18(25)20-9-16(23)24/h1-8,22H,9H2,(H,20,25)(H,23,24).
What are the key properties of 2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid has a molecular weight of 420.83 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 19692182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).