methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate

C8H10ClN3O4S — CID 107596045

IUPACmethyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C8H10ClN3O4S/c1-16-8(13)2-3-17(14,15)12-7-5-10-6(9)4-11-7/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyKWPPROVOJXPPPG-UHFFFAOYSA-N
MW279.71 g/mol
LogP0.43
Rot. Bonds5

About methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate

methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate (PubChem CID 107596045) has the molecular formula C8H10ClN3O4S and a molecular weight of 279.71 g/mol. Its IUPAC name is methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate
PubChem CID107596045
Molecular FormulaC8H10ClN3O4S
Molecular Weight279.71 g/mol
Exact Mass279.01
IUPAC Namemethyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C8H10ClN3O4S/c1-16-8(13)2-3-17(14,15)12-7-5-10-6(9)4-11-7/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyKWPPROVOJXPPPG-UHFFFAOYSA-N
XLogP0.43
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate (CID 107596045) is methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)Nc1cnc(Cl)cn1.
What is the InChIKey of methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate?
The InChIKey is KWPPROVOJXPPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O4S/c1-16-8(13)2-3-17(14,15)12-7-5-10-6(9)4-11-7/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate?
methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate has a molecular weight of 279.71 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate is sourced from PubChem (CID 107596045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).