dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate

C20H17N3O7S — CID 31912381

IUPACdimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c1
InChIInChI=1S/C20H17N3O7S/c1-28-19(24)13-6-7-16(20(25)29-2)17(10-13)31(26,27)23-14-4-3-5-15(11-14)30-18-12-21-8-9-22-18/h3-12,23H,1-2H3
InChIKeyRSPYGADVBKWIKC-UHFFFAOYSA-N
MW443.44 g/mol
LogP2.64
Rot. Bonds7

About dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate

dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate (PubChem CID 31912381) has the molecular formula C20H17N3O7S and a molecular weight of 443.44 g/mol. Its IUPAC name is dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate
PubChem CID31912381
Molecular FormulaC20H17N3O7S
Molecular Weight443.44 g/mol
Exact Mass443.08
IUPAC Namedimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c1
InChIInChI=1S/C20H17N3O7S/c1-28-19(24)13-6-7-16(20(25)29-2)17(10-13)31(26,27)23-14-4-3-5-15(11-14)30-18-12-21-8-9-22-18/h3-12,23H,1-2H3
InChIKeyRSPYGADVBKWIKC-UHFFFAOYSA-N
XLogP2.64
TPSA133.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate (CID 31912381) is dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c1.
What is the InChIKey of dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate?
The InChIKey is RSPYGADVBKWIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O7S/c1-28-19(24)13-6-7-16(20(25)29-2)17(10-13)31(26,27)23-14-4-3-5-15(11-14)30-18-12-21-8-9-22-18/h3-12,23H,1-2H3.
What are the key properties of dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate?
dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate has a molecular weight of 443.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate is sourced from PubChem (CID 31912381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).