ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate

C14H22N2O4S — CID 22515733

IUPACethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NC2CCCCC2)cn1C
InChIInChI=1S/C14H22N2O4S/c1-3-20-14(17)13-9-12(10-16(13)2)21(18,19)15-11-7-5-4-6-8-11/h9-11,15H,3-8H2,1-2H3
InChIKeyHZEDIRRFIMBZDZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.81
Rot. Bonds5

About ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate

ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate (PubChem CID 22515733) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
PubChem CID22515733
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nameethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NC2CCCCC2)cn1C
InChIInChI=1S/C14H22N2O4S/c1-3-20-14(17)13-9-12(10-16(13)2)21(18,19)15-11-7-5-4-6-8-11/h9-11,15H,3-8H2,1-2H3
InChIKeyHZEDIRRFIMBZDZ-UHFFFAOYSA-N
XLogP1.81
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate (CID 22515733) is ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)NC2CCCCC2)cn1C.
What is the InChIKey of ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate?
The InChIKey is HZEDIRRFIMBZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-20-14(17)13-9-12(10-16(13)2)21(18,19)15-11-7-5-4-6-8-11/h9-11,15H,3-8H2,1-2H3.
What are the key properties of ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate?
ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate has a molecular weight of 314.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 22515733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).