4-(quinolin-8-ylsulfonylamino)benzoic acid

C16H12N2O4S — CID 776645

IUPAC4-(quinolin-8-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C16H12N2O4S/c19-16(20)12-6-8-13(9-7-12)18-23(21,22)14-5-1-3-11-4-2-10-17-15(11)14/h1-10,18H,(H,19,20)
InChIKeyNBQVTLMGAPBCJA-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.73
Rot. Bonds4

About 4-(quinolin-8-ylsulfonylamino)benzoic acid

4-(quinolin-8-ylsulfonylamino)benzoic acid (PubChem CID 776645) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-(quinolin-8-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name4-(quinolin-8-ylsulfonylamino)benzoic acid
PubChem CID776645
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name4-(quinolin-8-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C16H12N2O4S/c19-16(20)12-6-8-13(9-7-12)18-23(21,22)14-5-1-3-11-4-2-10-17-15(11)14/h1-10,18H,(H,19,20)
InChIKeyNBQVTLMGAPBCJA-UHFFFAOYSA-N
XLogP2.73
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-8-ylsulfonylamino)benzoic acid?
The IUPAC name of 4-(quinolin-8-ylsulfonylamino)benzoic acid (CID 776645) is 4-(quinolin-8-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 4-(quinolin-8-ylsulfonylamino)benzoic acid?
The canonical SMILES for 4-(quinolin-8-ylsulfonylamino)benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of 4-(quinolin-8-ylsulfonylamino)benzoic acid?
The InChIKey is NBQVTLMGAPBCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-16(20)12-6-8-13(9-7-12)18-23(21,22)14-5-1-3-11-4-2-10-17-15(11)14/h1-10,18H,(H,19,20).
What are the key properties of 4-(quinolin-8-ylsulfonylamino)benzoic acid?
4-(quinolin-8-ylsulfonylamino)benzoic acid has a molecular weight of 328.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-8-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 776645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).