ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate

C10H14N2O4S — CID 146607723

IUPACethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate
SMILESC=Cc1c(S(N)(=O)=O)cn(C)c1C(=O)OCC
InChIInChI=1S/C10H14N2O4S/c1-4-7-8(17(11,14)15)6-12(3)9(7)10(13)16-5-2/h4,6H,1,5H2,2-3H3,(H2,11,14,15)
InChIKeyOWOJIHLMILUZTC-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.49
Rot. Bonds4

About ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate

ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 146607723) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID146607723
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Nameethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate
SMILESC=Cc1c(S(N)(=O)=O)cn(C)c1C(=O)OCC
InChIInChI=1S/C10H14N2O4S/c1-4-7-8(17(11,14)15)6-12(3)9(7)10(13)16-5-2/h4,6H,1,5H2,2-3H3,(H2,11,14,15)
InChIKeyOWOJIHLMILUZTC-UHFFFAOYSA-N
XLogP0.49
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid
CID 163846396
ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate
CID 146496132
ethyl 3-chloro-4-chlorosulfonyl-1-methylpyrrole-2-carboxylate;ethyl 3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxylate;methane
CID 158210903
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate
CID 54696576
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
ethyl 3-fluoro-1-methyl-4-[(1,1,1-trifluoro-3-hydroxypropan-2-yl)sulfamoyl]pyrrole-2-carboxylate
CID 175092780
ethyl 4-prop-2-enoylbenzoate
CID 14093547
2-(5-ethoxycarbonyl-4-fluoro-1-methylpyrrol-3-yl)-2-oxoacetic acid
CID 121409825
ethyl 3-fluoro-1-methyl-4-[[3-(trifluoromethyl)oxetan-3-yl]sulfamoyl]pyrrole-2-carboxylate
CID 135359129
ethyl 2-methyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrole-1-carboxylate
CID 146309317
ethyl 5-iodo-2-sulfamoylbenzoate
CID 19376834

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate (CID 146607723) is ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate is C=Cc1c(S(N)(=O)=O)cn(C)c1C(=O)OCC.
What is the InChIKey of ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is OWOJIHLMILUZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-4-7-8(17(11,14)15)6-12(3)9(7)10(13)16-5-2/h4,6H,1,5H2,2-3H3,(H2,11,14,15).
What are the key properties of ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate?
ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 258.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 146607723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).