methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate

C11H12N2O4S2 — CID 22552063

IUPACmethyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCc2cccs2)c[nH]1
InChIInChI=1S/C11H12N2O4S2/c1-17-11(14)10-5-9(7-12-10)19(15,16)13-6-8-3-2-4-18-8/h2-5,7,12-13H,6H2,1H3
InChIKeyWNFMCQDRRAOEBD-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.34
Rot. Bonds5

About methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate

methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate (PubChem CID 22552063) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
PubChem CID22552063
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC Namemethyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCc2cccs2)c[nH]1
InChIInChI=1S/C11H12N2O4S2/c1-17-11(14)10-5-9(7-12-10)19(15,16)13-6-8-3-2-4-18-8/h2-5,7,12-13H,6H2,1H3
InChIKeyWNFMCQDRRAOEBD-UHFFFAOYSA-N
XLogP1.34
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate (CID 22552063) is methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCc2cccs2)c[nH]1.
What is the InChIKey of methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
The InChIKey is WNFMCQDRRAOEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c1-17-11(14)10-5-9(7-12-10)19(15,16)13-6-8-3-2-4-18-8/h2-5,7,12-13H,6H2,1H3.
What are the key properties of methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(thiophen-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 22552063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).