methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate

C13H20N2O4S — CID 6625857

IUPACmethyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)c[nH]1
InChIInChI=1S/C13H20N2O4S/c1-15(10-6-4-3-5-7-10)20(17,18)11-8-12(14-9-11)13(16)19-2/h8-10,14H,3-7H2,1-2H3
InChIKeyNGFJINYYRJISHM-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.75
Rot. Bonds4

About methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 6625857) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID6625857
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)c[nH]1
InChIInChI=1S/C13H20N2O4S/c1-15(10-6-4-3-5-7-10)20(17,18)11-8-12(14-9-11)13(16)19-2/h8-10,14H,3-7H2,1-2H3
InChIKeyNGFJINYYRJISHM-UHFFFAOYSA-N
XLogP1.75
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 6625857) is methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)c[nH]1.
What is the InChIKey of methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is NGFJINYYRJISHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-15(10-6-4-3-5-7-10)20(17,18)11-8-12(14-9-11)13(16)19-2/h8-10,14H,3-7H2,1-2H3.
What are the key properties of methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 6625857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).