ethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate

C16H21N3O4S — CID 20927249

IUPACethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2ccc(C)cn2)c(C)n(C)c1C
InChIInChI=1S/C16H21N3O4S/c1-6-23-16(20)14-11(3)19(5)12(4)15(14)24(21,22)18-13-8-7-10(2)9-17-13/h7-9H,6H2,1-5H3,(H,17,18)
InChIKeyOKYFLFYZESHPAU-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.32
Rot. Bonds5

About ethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate

ethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate (PubChem CID 20927249) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate
PubChem CID20927249
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Nameethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2ccc(C)cn2)c(C)n(C)c1C
InChIInChI=1S/C16H21N3O4S/c1-6-23-16(20)14-11(3)19(5)12(4)15(14)24(21,22)18-13-8-7-10(2)9-17-13/h7-9H,6H2,1-5H3,(H,17,18)
InChIKeyOKYFLFYZESHPAU-UHFFFAOYSA-N
XLogP2.32
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.32
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-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate (CID 20927249) is ethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)Nc2ccc(C)cn2)c(C)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate?
The InChIKey is OKYFLFYZESHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-6-23-16(20)14-11(3)19(5)12(4)15(14)24(21,22)18-13-8-7-10(2)9-17-13/h7-9H,6H2,1-5H3,(H,17,18).
What are the key properties of ethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate?
ethyl 1,2,5-trimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate has a molecular weight of 351.43 g/mol, XLogP of 2.32, 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-[(5-methyl-2-pyridinyl)sulfamoyl]pyrrole-3-carboxylate is sourced from PubChem (CID 20927249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).