2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid

C18H16N2O4S — CID 7730199

IUPAC2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid
SMILESCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H16N2O4S/c1-2-20(15-10-4-3-9-14(15)18(21)22)25(23,24)16-11-5-7-13-8-6-12-19-17(13)16/h3-12H,2H2,1H3,(H,21,22)
InChIKeyCTKQQYGSNUKADJ-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.15
Rot. Bonds5

About 2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid

2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid (PubChem CID 7730199) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid
PubChem CID7730199
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid
SMILESCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H16N2O4S/c1-2-20(15-10-4-3-9-14(15)18(21)22)25(23,24)16-11-5-7-13-8-6-12-19-17(13)16/h3-12H,2H2,1H3,(H,21,22)
InChIKeyCTKQQYGSNUKADJ-UHFFFAOYSA-N
XLogP3.15
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid?
The IUPAC name of 2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid (CID 7730199) is 2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid.
What is the SMILES notation for 2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid?
The canonical SMILES for 2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid is CCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid?
The InChIKey is CTKQQYGSNUKADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-2-20(15-10-4-3-9-14(15)18(21)22)25(23,24)16-11-5-7-13-8-6-12-19-17(13)16/h3-12H,2H2,1H3,(H,21,22).
What are the key properties of 2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid?
2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid has a molecular weight of 356.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(quinolin-8-ylsulfonyl)amino]benzoic acid is sourced from PubChem (CID 7730199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).