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

C15H18N2O5S — CID 22515725

IUPACethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)Nc2cccc(OC)c2)cn1C
InChIInChI=1S/C15H18N2O5S/c1-4-22-15(18)14-9-13(10-17(14)2)23(19,20)16-11-6-5-7-12(8-11)21-3/h5-10,16H,4H2,1-3H3
InChIKeyQFXSPMILTZRTOI-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.01
Rot. Bonds6

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

ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 22515725) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID22515725
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Nameethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)Nc2cccc(OC)c2)cn1C
InChIInChI=1S/C15H18N2O5S/c1-4-22-15(18)14-9-13(10-17(14)2)23(19,20)16-11-6-5-7-12(8-11)21-3/h5-10,16H,4H2,1-3H3
InChIKeyQFXSPMILTZRTOI-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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 4-{[(furan-2-YL)methyl](methyl)sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552125
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4780076
N-(2-methoxyphenyl)-1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 17398405
Methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515623
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-[(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 ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 22515725) is ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)Nc2cccc(OC)c2)cn1C.
What is the InChIKey of ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is QFXSPMILTZRTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-4-22-15(18)14-9-13(10-17(14)2)23(19,20)16-11-6-5-7-12(8-11)21-3/h5-10,16H,4H2,1-3H3.
What are the key properties of ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 22515725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).