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

C15H18N2O5S — CID 20938587

IUPACmethyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCOc1ccccc1CNS(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C15H18N2O5S/c1-3-22-14-7-5-4-6-11(14)9-17-23(19,20)12-8-13(16-10-12)15(18)21-2/h4-8,10,16-17H,3,9H2,1-2H3
InChIKeyFPFVUHPXCWJZLV-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.68
Rot. Bonds7

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

methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 20938587) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID20938587
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Namemethyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCCOc1ccccc1CNS(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C15H18N2O5S/c1-3-22-14-7-5-4-6-11(14)9-17-23(19,20)12-8-13(16-10-12)15(18)21-2/h4-8,10,16-17H,3,9H2,1-2H3
InChIKeyFPFVUHPXCWJZLV-UHFFFAOYSA-N
XLogP1.68
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
4-[(2-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780221
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
N-[(2-ethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53281595
N-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100719493
3-[(2-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160157
N-[(2-ethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100505396
2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
CID 3832816
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344
methyl 3-[(2-ethoxyphenyl)methylamino]benzoate
CID 43217510
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide
CID 30380870
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate (CID 20938587) is methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate is CCOc1ccccc1CNS(=O)(=O)c1c[nH]c(C(=O)OC)c1.
What is the InChIKey of methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is FPFVUHPXCWJZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-3-22-14-7-5-4-6-11(14)9-17-23(19,20)12-8-13(16-10-12)15(18)21-2/h4-8,10,16-17H,3,9H2,1-2H3.
What are the key properties of methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethoxyphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 20938587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).