methyl 6-chlorosulfonylpyrazine-2-carboxylate

C6H5ClN2O4S — CID 66456417

IUPACmethyl 6-chlorosulfonylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(S(=O)(=O)Cl)n1
InChIInChI=1S/C6H5ClN2O4S/c1-13-6(10)4-2-8-3-5(9-4)14(7,11)12/h2-3H,1H3
InChIKeyGXRNLZXHQLBCQU-UHFFFAOYSA-N
MW236.64 g/mol
LogP0.19
Rot. Bonds2

About methyl 6-chlorosulfonylpyrazine-2-carboxylate

methyl 6-chlorosulfonylpyrazine-2-carboxylate (PubChem CID 66456417) has the molecular formula C6H5ClN2O4S and a molecular weight of 236.64 g/mol. Its IUPAC name is methyl 6-chlorosulfonylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chlorosulfonylpyrazine-2-carboxylate
PubChem CID66456417
Molecular FormulaC6H5ClN2O4S
Molecular Weight236.64 g/mol
Exact Mass235.97
IUPAC Namemethyl 6-chlorosulfonylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(S(=O)(=O)Cl)n1
InChIInChI=1S/C6H5ClN2O4S/c1-13-6(10)4-2-8-3-5(9-4)14(7,11)12/h2-3H,1H3
InChIKeyGXRNLZXHQLBCQU-UHFFFAOYSA-N
XLogP0.19
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-bromopyrazine-2-carboxylate
CID 52988070
methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate
CID 138015253
methyl 5-chlorosulfonylpyridine-2-carboxylate
CID 55279599
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434
methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
CID 66458474
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate
CID 79858166
methyl 6-(4-chlorophenyl)sulfanylpyrazine-2-carboxylate
CID 66452135
6-methylsulfonylpyrazine-2-carboxylic acid
CID 119030966
methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate
CID 66455880
methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66456269
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
CID 66456879

Frequently Asked Questions

What is the IUPAC name of methyl 6-chlorosulfonylpyrazine-2-carboxylate?
The IUPAC name of methyl 6-chlorosulfonylpyrazine-2-carboxylate (CID 66456417) is methyl 6-chlorosulfonylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-chlorosulfonylpyrazine-2-carboxylate?
The canonical SMILES for methyl 6-chlorosulfonylpyrazine-2-carboxylate is COC(=O)c1cncc(S(=O)(=O)Cl)n1.
What is the InChIKey of methyl 6-chlorosulfonylpyrazine-2-carboxylate?
The InChIKey is GXRNLZXHQLBCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O4S/c1-13-6(10)4-2-8-3-5(9-4)14(7,11)12/h2-3H,1H3.
What are the key properties of methyl 6-chlorosulfonylpyrazine-2-carboxylate?
methyl 6-chlorosulfonylpyrazine-2-carboxylate has a molecular weight of 236.64 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chlorosulfonylpyrazine-2-carboxylate is sourced from PubChem (CID 66456417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).