2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid

C18H14N2O6S — CID 19692194

IUPAC2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc2ccc(S(=O)(=O)c3ccccc3)cc2cc1O
InChIInChI=1S/C18H14N2O6S/c21-15-9-11-8-13(27(25,26)12-4-2-1-3-5-12)6-7-14(11)20-17(15)18(24)19-10-16(22)23/h1-9,21H,10H2,(H,19,24)(H,22,23)
InChIKeyAJMLBKBHGRGZRA-UHFFFAOYSA-N
MW386.39 g/mol
LogP1.59
Rot. Bonds5

About 2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid

2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid (PubChem CID 19692194) has the molecular formula C18H14N2O6S and a molecular weight of 386.39 g/mol. Its IUPAC name is 2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
PubChem CID19692194
Molecular FormulaC18H14N2O6S
Molecular Weight386.39 g/mol
Exact Mass386.06
IUPAC Name2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc2ccc(S(=O)(=O)c3ccccc3)cc2cc1O
InChIInChI=1S/C18H14N2O6S/c21-15-9-11-8-13(27(25,26)12-4-2-1-3-5-12)6-7-14(11)20-17(15)18(24)19-10-16(22)23/h1-9,21H,10H2,(H,19,24)(H,22,23)
InChIKeyAJMLBKBHGRGZRA-UHFFFAOYSA-N
XLogP1.59
TPSA133.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid (CID 19692194) is 2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1nc2ccc(S(=O)(=O)c3ccccc3)cc2cc1O.
What is the InChIKey of 2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
The InChIKey is AJMLBKBHGRGZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O6S/c21-15-9-11-8-13(27(25,26)12-4-2-1-3-5-12)6-7-14(11)20-17(15)18(24)19-10-16(22)23/h1-9,21H,10H2,(H,19,24)(H,22,23).
What are the key properties of 2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid?
2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid has a molecular weight of 386.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 19692194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).