methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate

C13H15N3O4S — CID 2810191

IUPACmethyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccccn2)n1C
InChIInChI=1S/C13H15N3O4S/c1-16-11(13(17)20-2)6-7-12(16)21(18,19)15-9-10-5-3-4-8-14-10/h3-8,15H,9H2,1-2H3
InChIKeyWKCXQHYHUWDTDQ-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.69
Rot. Bonds5

About methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate

methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate (PubChem CID 2810191) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
PubChem CID2810191
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Namemethyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccccn2)n1C
InChIInChI=1S/C13H15N3O4S/c1-16-11(13(17)20-2)6-7-12(16)21(18,19)15-9-10-5-3-4-8-14-10/h3-8,15H,9H2,1-2H3
InChIKeyWKCXQHYHUWDTDQ-UHFFFAOYSA-N
XLogP0.69
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(azepan-1-ylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
CID 2809931
methyl 5-{[4-(aminocarbonyl)piperidino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2809929
methyl 5-{[4-(2-hydroxyethyl)piperazino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2809932
Methyl 5-(4-hydroxypiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylate
CID 2810186
Methyl 5-[[(1,1-dimethylethyl)amino]sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810314
methyl 5-[(benzylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810316
Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
ethyl 4-({[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}amino)piperidine-1-carboxylate
CID 3243586
ethyl 4-{[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}piperazine-1-carboxylate
CID 3245578

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate (CID 2810191) is methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)NCc2ccccn2)n1C.
What is the InChIKey of methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
The InChIKey is WKCXQHYHUWDTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-16-11(13(17)20-2)6-7-12(16)21(18,19)15-9-10-5-3-4-8-14-10/h3-8,15H,9H2,1-2H3.
What are the key properties of methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate has a molecular weight of 309.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-(pyridin-2-ylmethylsulfamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 2810191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).