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

C17H14N2O4S — CID 15944458

IUPAC2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid
SMILESCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O4S/c1-19(14-9-3-2-8-13(14)17(20)21)24(22,23)15-10-4-6-12-7-5-11-18-16(12)15/h2-11H,1H3,(H,20,21)
InChIKeyPPRXFFUMDSFSHC-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.76
Rot. Bonds4

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

2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid (PubChem CID 15944458) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid
PubChem CID15944458
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid
SMILESCN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O4S/c1-19(14-9-3-2-8-13(14)17(20)21)24(22,23)15-10-4-6-12-7-5-11-18-16(12)15/h2-11H,1H3,(H,20,21)
InChIKeyPPRXFFUMDSFSHC-UHFFFAOYSA-N
XLogP2.76
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid?
The IUPAC name of 2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid (CID 15944458) is 2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid is CN(c1ccccc1C(=O)O)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid?
The InChIKey is PPRXFFUMDSFSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-19(14-9-3-2-8-13(14)17(20)21)24(22,23)15-10-4-6-12-7-5-11-18-16(12)15/h2-11H,1H3,(H,20,21).
What are the key properties of 2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid?
2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid has a molecular weight of 342.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(quinolin-8-ylsulfonyl)amino]benzoic acid is sourced from PubChem (CID 15944458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).