2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid

C27H19N3O4S — CID 71740073

IUPAC2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C27H19N3O4S/c31-27(32)21-13-7-8-14-22(21)30-35(33,34)20-15-16-23-24(17-20)29-26(19-11-5-2-6-12-19)25(28-23)18-9-3-1-4-10-18/h1-17,30H,(H,31,32)
InChIKeyNYNASDAVTKYKDC-UHFFFAOYSA-N
MW481.53 g/mol
LogP5.46
Rot. Bonds6

About 2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid

2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid (PubChem CID 71740073) has the molecular formula C27H19N3O4S and a molecular weight of 481.53 g/mol. Its IUPAC name is 2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid
PubChem CID71740073
Molecular FormulaC27H19N3O4S
Molecular Weight481.53 g/mol
Exact Mass481.11
IUPAC Name2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C27H19N3O4S/c31-27(32)21-13-7-8-14-22(21)30-35(33,34)20-15-16-23-24(17-20)29-26(19-11-5-2-6-12-19)25(28-23)18-9-3-1-4-10-18/h1-17,30H,(H,31,32)
InChIKeyNYNASDAVTKYKDC-UHFFFAOYSA-N
XLogP5.46
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid (CID 71740073) is 2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid is O=C(O)c1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of 2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid?
The InChIKey is NYNASDAVTKYKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O4S/c31-27(32)21-13-7-8-14-22(21)30-35(33,34)20-15-16-23-24(17-20)29-26(19-11-5-2-6-12-19)25(28-23)18-9-3-1-4-10-18/h1-17,30H,(H,31,32).
What are the key properties of 2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid?
2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid has a molecular weight of 481.53 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-diphenylquinoxalin-6-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 71740073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).