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

C14H16N2O5S — CID 22515623

IUPACmethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cccc(OC)c2)cn1C
InChIInChI=1S/C14H16N2O5S/c1-16-9-12(8-13(16)14(17)21-3)22(18,19)15-10-5-4-6-11(7-10)20-2/h4-9,15H,1-3H3
InChIKeyMAHOXFKUFFXFKW-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.62
Rot. Bonds5

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

methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 22515623) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID22515623
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Namemethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cccc(OC)c2)cn1C
InChIInChI=1S/C14H16N2O5S/c1-16-9-12(8-13(16)14(17)21-3)22(18,19)15-10-5-4-6-11(7-10)20-2/h4-9,15H,1-3H3
InChIKeyMAHOXFKUFFXFKW-UHFFFAOYSA-N
XLogP1.62
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-{[(4-methoxybenzyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810317
[2-(4-Methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4253900
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
methyl 5-{[(3-methoxybenzyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 3237854
N-(2-methoxyphenyl)-1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 17398405
methyl 4-{[(2-fluorophenyl)(propyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938589
Methyl 4-[(3,5-dimethoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515637
Methyl 4-{[(3-methoxyphenyl)methyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 22515690
ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515725
Ethyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515736
[2-[(1-Methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 4244853
Methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623771

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 22515623) is methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2cccc(OC)c2)cn1C.
What is the InChIKey of methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is MAHOXFKUFFXFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-16-9-12(8-13(16)14(17)21-3)22(18,19)15-10-5-4-6-11(7-10)20-2/h4-9,15H,1-3H3.
What are the key properties of methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 22515623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).