ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

C16H20N2O6S — CID 22515736

IUPACethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)cn1C
InChIInChI=1S/C16H20N2O6S/c1-5-24-16(19)14-9-12(10-18(14)2)25(20,21)17-13-7-6-11(22-3)8-15(13)23-4/h6-10,17H,5H2,1-4H3
InChIKeyQUYZUGNHEDXVTJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.02
Rot. Bonds7

About ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 22515736) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID22515736
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Nameethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)cn1C
InChIInChI=1S/C16H20N2O6S/c1-5-24-16(19)14-9-12(10-18(14)2)25(20,21)17-13-7-6-11(22-3)8-15(13)23-4/h6-10,17H,5H2,1-4H3
InChIKeyQUYZUGNHEDXVTJ-UHFFFAOYSA-N
XLogP2.02
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 22515736) is ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)cn1C.
What is the InChIKey of ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is QUYZUGNHEDXVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c1-5-24-16(19)14-9-12(10-18(14)2)25(20,21)17-13-7-6-11(22-3)8-15(13)23-4/h6-10,17H,5H2,1-4H3.
What are the key properties of ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 22515736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).