methyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate

C15H18N2O5S — CID 2810317

IUPACmethyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2)n1C
InChIInChI=1S/C15H18N2O5S/c1-17-13(15(18)22-3)8-9-14(17)23(19,20)16-10-11-4-6-12(21-2)7-5-11/h4-9,16H,10H2,1-3H3
InChIKeyAMJBBICRWVVVKR-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.30
Rot. Bonds6

About methyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 2810317) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID2810317
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Namemethyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2)n1C
InChIInChI=1S/C15H18N2O5S/c1-17-13(15(18)22-3)8-9-14(17)23(19,20)16-10-11-4-6-12(21-2)7-5-11/h4-9,16H,10H2,1-3H3
InChIKeyAMJBBICRWVVVKR-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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Related Compounds

methyl 5-{[(2-methoxyphenethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810307
methyl 5-{[(2-furylmethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810312
methyl 5-[(benzylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810316
5-{[(2-methoxyphenethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylic acid
CID 2810318
methyl 5-{[(3-methoxybenzyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 3237854
Methyl 4-[(3-methoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515623
Methyl 4-{[(2H-1,3-benzodioxol-5-YL)methyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 22515659
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-{[(1,3-benzodioxol-5-ylmethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 22515751
methyl 5-{[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810189
methyl 5-{[benzyl(2-hydroxyethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810313

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate (CID 2810317) is methyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2)n1C.
What is the InChIKey of methyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is AMJBBICRWVVVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-17-13(15(18)22-3)8-9-14(17)23(19,20)16-10-11-4-6-12(21-2)7-5-11/h4-9,16H,10H2,1-3H3.
What are the key properties of methyl 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 5-[(4-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 5-[(4-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 2810317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).