dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate

C19H16N2O6S — CID 4198827

IUPACdimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C19H16N2O6S/c1-26-18(22)13-8-9-14(19(23)27-2)15(11-13)21-28(24,25)16-7-3-5-12-6-4-10-20-17(12)16/h3-11,21H,1-2H3
InChIKeyDFTVMTSRMANWST-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.61
Rot. Bonds5

About dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate

dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate (PubChem CID 4198827) has the molecular formula C19H16N2O6S and a molecular weight of 400.41 g/mol. Its IUPAC name is dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
PubChem CID4198827
Molecular FormulaC19H16N2O6S
Molecular Weight400.41 g/mol
Exact Mass400.07
IUPAC Namedimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C19H16N2O6S/c1-26-18(22)13-8-9-14(19(23)27-2)15(11-13)21-28(24,25)16-7-3-5-12-6-4-10-20-17(12)16/h3-11,21H,1-2H3
InChIKeyDFTVMTSRMANWST-UHFFFAOYSA-N
XLogP2.61
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 2-(quinolin-8-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 24502183
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
methyl 2-(quinoxalin-5-ylsulfonylamino)-4-(trifluoromethyl)benzoate
CID 67200346
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
methyl 3-[[(2-methylbenzoyl)amino]methyl]-5-(quinolin-8-ylsulfonylamino)benzoate
CID 42472630
methyl 2-[(2-pyridin-2-ylquinolin-8-yl)sulfamoyl]benzoate
CID 46896463
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 7339253

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate (CID 4198827) is dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cccc3cccnc23)c1.
What is the InChIKey of dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate?
The InChIKey is DFTVMTSRMANWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6S/c1-26-18(22)13-8-9-14(19(23)27-2)15(11-13)21-28(24,25)16-7-3-5-12-6-4-10-20-17(12)16/h3-11,21H,1-2H3.
What are the key properties of dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate?
dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate has a molecular weight of 400.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate is sourced from PubChem (CID 4198827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).