ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate

C15H19N3O4S — CID 20927343

IUPACethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2ccccn2)c(C)n(C)c1C
InChIInChI=1S/C15H19N3O4S/c1-5-22-15(19)13-10(2)18(4)11(3)14(13)23(20,21)17-12-8-6-7-9-16-12/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyPISWONLUAGTQIK-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.01
Rot. Bonds5

About ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate

ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate (PubChem CID 20927343) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate
PubChem CID20927343
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2ccccn2)c(C)n(C)c1C
InChIInChI=1S/C15H19N3O4S/c1-5-22-15(19)13-10(2)18(4)11(3)14(13)23(20,21)17-12-8-6-7-9-16-12/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyPISWONLUAGTQIK-UHFFFAOYSA-N
XLogP2.01
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate (CID 20927343) is ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)Nc2ccccn2)c(C)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate?
The InChIKey is PISWONLUAGTQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-5-22-15(19)13-10(2)18(4)11(3)14(13)23(20,21)17-12-8-6-7-9-16-12/h6-9H,5H2,1-4H3,(H,16,17).
What are the key properties of ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate?
ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,5-trimethyl-4-(pyridin-2-ylsulfamoyl)pyrrole-3-carboxylate is sourced from PubChem (CID 20927343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).