ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

C17H20N2O6S — CID 6623746

IUPACethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)OCC)n(C)c2)c1
InChIInChI=1S/C17H20N2O6S/c1-4-24-16(20)12-7-6-8-13(9-12)18-26(22,23)14-10-15(19(3)11-14)17(21)25-5-2/h6-11,18H,4-5H2,1-3H3
InChIKeyDFXBNLZVAOFZHX-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.18
Rot. Bonds7

About ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 6623746) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID6623746
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Nameethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)OCC)n(C)c2)c1
InChIInChI=1S/C17H20N2O6S/c1-4-24-16(20)12-7-6-8-13(9-12)18-26(22,23)14-10-15(19(3)11-14)17(21)25-5-2/h6-11,18H,4-5H2,1-3H3
InChIKeyDFXBNLZVAOFZHX-UHFFFAOYSA-N
XLogP2.18
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxylate
CID 46271592
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779
ethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 100694632
ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
CID 8823795
ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate
CID 8823790
ethyl 3-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 100539948
sodium N-(3-ethoxycarbonylphenyl)sulfamate
CID 23679809
ethyl 3-[[1,2-dimethyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate
CID 53006312
ethyl 3-[(1-ethyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 19683978
ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
CID 28633152

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 6623746) is ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is CCOC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)OCC)n(C)c2)c1.
What is the InChIKey of ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is DFXBNLZVAOFZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-4-24-16(20)12-7-6-8-13(9-12)18-26(22,23)14-10-15(19(3)11-14)17(21)25-5-2/h6-11,18H,4-5H2,1-3H3.
What are the key properties of ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 380.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 6623746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).