methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate

C15H18N2O5S — CID 20938586

IUPACmethyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCOc1ccc(N(C)S(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1
InChIInChI=1S/C15H18N2O5S/c1-4-22-12-7-5-11(6-8-12)17(2)23(19,20)13-9-14(16-10-13)15(18)21-3/h5-10,16H,4H2,1-3H3
InChIKeyGFISMNUZBFWPJU-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.03
Rot. Bonds6

About methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 20938586) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID20938586
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Namemethyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCOc1ccc(N(C)S(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1
InChIInChI=1S/C15H18N2O5S/c1-4-22-12-7-5-11(6-8-12)17(2)23(19,20)13-9-14(16-10-13)15(18)21-3/h5-10,16H,4H2,1-3H3
InChIKeyGFISMNUZBFWPJU-UHFFFAOYSA-N
XLogP2.03
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate (CID 20938586) is methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate is CCOc1ccc(N(C)S(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is GFISMNUZBFWPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-4-22-12-7-5-11(6-8-12)17(2)23(19,20)13-9-14(16-10-13)15(18)21-3/h5-10,16H,4H2,1-3H3.
What are the key properties of methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-ethoxyphenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 20938586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).