2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid

C22H16N2O5S — CID 56595901

IUPAC2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cccc(-c3ccc4ncccc4c3)c2)cc1O
InChIInChI=1S/C22H16N2O5S/c25-21-13-17(7-8-19(21)22(26)27)24-30(28,29)18-5-1-3-14(12-18)15-6-9-20-16(11-15)4-2-10-23-20/h1-13,24-25H,(H,26,27)
InChIKeyPNHHTEKOJQFBOQ-UHFFFAOYSA-N
MW420.45 g/mol
LogP4.11
Rot. Bonds5

About 2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid

2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid (PubChem CID 56595901) has the molecular formula C22H16N2O5S and a molecular weight of 420.45 g/mol. Its IUPAC name is 2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid
PubChem CID56595901
Molecular FormulaC22H16N2O5S
Molecular Weight420.45 g/mol
Exact Mass420.08
IUPAC Name2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cccc(-c3ccc4ncccc4c3)c2)cc1O
InChIInChI=1S/C22H16N2O5S/c25-21-13-17(7-8-19(21)22(26)27)24-30(28,29)18-5-1-3-14(12-18)15-6-9-20-16(11-15)4-2-10-23-20/h1-13,24-25H,(H,26,27)
InChIKeyPNHHTEKOJQFBOQ-UHFFFAOYSA-N
XLogP4.11
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid (CID 56595901) is 2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cccc(-c3ccc4ncccc4c3)c2)cc1O.
What is the InChIKey of 2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid?
The InChIKey is PNHHTEKOJQFBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5S/c25-21-13-17(7-8-19(21)22(26)27)24-30(28,29)18-5-1-3-14(12-18)15-6-9-20-16(11-15)4-2-10-23-20/h1-13,24-25H,(H,26,27).
What are the key properties of 2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid?
2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid has a molecular weight of 420.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(3-quinolin-6-ylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 56595901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).