2-(N-quinolin-8-ylsulfonylanilino)acetic acid

C17H14N2O4S — CID 146018152

IUPAC2-(N-quinolin-8-ylsulfonylanilino)acetic acid
SMILESO=C(O)CN(c1ccccc1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O4S/c20-16(21)12-19(14-8-2-1-3-9-14)24(22,23)15-10-4-6-13-7-5-11-18-17(13)15/h1-11H,12H2,(H,20,21)
InChIKeyYXZPVFQCWTZAIS-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.51
Rot. Bonds5

About 2-(N-quinolin-8-ylsulfonylanilino)acetic acid

2-(N-quinolin-8-ylsulfonylanilino)acetic acid (PubChem CID 146018152) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-(N-quinolin-8-ylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-quinolin-8-ylsulfonylanilino)acetic acid
PubChem CID146018152
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name2-(N-quinolin-8-ylsulfonylanilino)acetic acid
SMILESO=C(O)CN(c1ccccc1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O4S/c20-16(21)12-19(14-8-2-1-3-9-14)24(22,23)15-10-4-6-13-7-5-11-18-17(13)15/h1-11H,12H2,(H,20,21)
InChIKeyYXZPVFQCWTZAIS-UHFFFAOYSA-N
XLogP2.51
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[carboxymethyl(quinolin-8-ylsulfonyl)amino]naphthalen-1-yl]-quinolin-8-ylsulfonylamino]acetic acid
CID 154997964
2-[[4-[carboxymethyl(quinolin-8-ylsulfonyl)amino]naphthalen-1-yl]-quinolin-8-ylsulfanylamino]acetic acid
CID 154653354
2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid
CID 1486714
N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide
CID 22506630
2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid;hydrochloride
CID 23302565
2-[[2-(4-carbamimidoylanilino)-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid
CID 23302333
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid;hydrochloride
CID 23302796
2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
CID 86061923
N,N-bis(prop-2-enyl)quinoline-8-sulfonamide
CID 3546701
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide
CID 3737417
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398

Frequently Asked Questions

What is the IUPAC name of 2-(N-quinolin-8-ylsulfonylanilino)acetic acid?
The IUPAC name of 2-(N-quinolin-8-ylsulfonylanilino)acetic acid (CID 146018152) is 2-(N-quinolin-8-ylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(N-quinolin-8-ylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(N-quinolin-8-ylsulfonylanilino)acetic acid is O=C(O)CN(c1ccccc1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 2-(N-quinolin-8-ylsulfonylanilino)acetic acid?
The InChIKey is YXZPVFQCWTZAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-16(21)12-19(14-8-2-1-3-9-14)24(22,23)15-10-4-6-13-7-5-11-18-17(13)15/h1-11H,12H2,(H,20,21).
What are the key properties of 2-(N-quinolin-8-ylsulfonylanilino)acetic acid?
2-(N-quinolin-8-ylsulfonylanilino)acetic acid has a molecular weight of 342.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-quinolin-8-ylsulfonylanilino)acetic acid is sourced from PubChem (CID 146018152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).