methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate

C15H18N2O5S — CID 22515690

IUPACmethyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCc2cccc(OC)c2)cn1C
InChIInChI=1S/C15H18N2O5S/c1-17-10-13(8-14(17)15(18)22-3)23(19,20)16-9-11-5-4-6-12(7-11)21-2/h4-8,10,16H,9H2,1-3H3
InChIKeyIJHSAIUNZOKLCO-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.30
Rot. Bonds6

About methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 22515690) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID22515690
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Namemethyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCc2cccc(OC)c2)cn1C
InChIInChI=1S/C15H18N2O5S/c1-17-10-13(8-14(17)15(18)22-3)23(19,20)16-9-11-5-4-6-12(7-11)21-2/h4-8,10,16H,9H2,1-3H3
InChIKeyIJHSAIUNZOKLCO-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate (CID 22515690) is methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCc2cccc(OC)c2)cn1C.
What is the InChIKey of methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is IJHSAIUNZOKLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-17-10-13(8-14(17)15(18)22-3)23(19,20)16-9-11-5-4-6-12(7-11)21-2/h4-8,10,16H,9H2,1-3H3.
What are the key properties of methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 22515690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).