5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid

C17H14N2O4S — CID 51134356

IUPAC5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccc3ncccc23)c(C(=O)O)c1
InChIInChI=1S/C17H14N2O4S/c1-11-7-8-15(13(10-11)17(20)21)19-24(22,23)16-6-2-5-14-12(16)4-3-9-18-14/h2-10,19H,1H3,(H,20,21)
InChIKeyZRMIONJUEDATNY-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.04
Rot. Bonds4

About 5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid

5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid (PubChem CID 51134356) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
PubChem CID51134356
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccc3ncccc23)c(C(=O)O)c1
InChIInChI=1S/C17H14N2O4S/c1-11-7-8-15(13(10-11)17(20)21)19-24(22,23)16-6-2-5-14-12(16)4-3-9-18-14/h2-10,19H,1H3,(H,20,21)
InChIKeyZRMIONJUEDATNY-UHFFFAOYSA-N
XLogP3.04
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid
CID 103298700
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768
N-(2-iodophenyl)quinoline-5-sulfonamide
CID 115601110
N-(2-aminophenyl)quinoline-5-sulfonamide
CID 104773530
5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 55676538
ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid
CID 90727760
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
CID 68865312
4-methyl-N-[4-methyl-2-(2-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59788740
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid?
The IUPAC name of 5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid (CID 51134356) is 5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid?
The canonical SMILES for 5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid is Cc1ccc(NS(=O)(=O)c2cccc3ncccc23)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid?
The InChIKey is ZRMIONJUEDATNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-11-7-8-15(13(10-11)17(20)21)19-24(22,23)16-6-2-5-14-12(16)4-3-9-18-14/h2-10,19H,1H3,(H,20,21).
What are the key properties of 5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid?
5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid has a molecular weight of 342.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 51134356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).