dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate

C18H16N4O6S — CID 30766155

IUPACdimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C18H16N4O6S/c1-27-17(23)12-8-13(18(24)28-2)10-15(9-12)29(25,26)21-14-4-5-16(19-11-14)22-7-3-6-20-22/h3-11,21H,1-2H3
InChIKeyQSTIWLWUKYWIQC-UHFFFAOYSA-N
MW416.42 g/mol
LogP1.64
Rot. Bonds6

About dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate

dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate (PubChem CID 30766155) has the molecular formula C18H16N4O6S and a molecular weight of 416.42 g/mol. Its IUPAC name is dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate
PubChem CID30766155
Molecular FormulaC18H16N4O6S
Molecular Weight416.42 g/mol
Exact Mass416.08
IUPAC Namedimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c1
InChIInChI=1S/C18H16N4O6S/c1-27-17(23)12-8-13(18(24)28-2)10-15(9-12)29(25,26)21-14-4-5-16(19-11-14)22-7-3-6-20-22/h3-11,21H,1-2H3
InChIKeyQSTIWLWUKYWIQC-UHFFFAOYSA-N
XLogP1.64
TPSA129.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618671
4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618610
4-chloro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499347
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 39328743
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 30868177
dimethyl 5-[(4-fluorophenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 1050459
dimethyl 5-[(2-chloro-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate
CID 18287797
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate (CID 30766155) is dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate is COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c1.
What is the InChIKey of dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate?
The InChIKey is QSTIWLWUKYWIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6S/c1-27-17(23)12-8-13(18(24)28-2)10-15(9-12)29(25,26)21-14-4-5-16(19-11-14)22-7-3-6-20-22/h3-11,21H,1-2H3.
What are the key properties of dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate?
dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate has a molecular weight of 416.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate is sourced from PubChem (CID 30766155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).