methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate

C15H18N2O4S — CID 22551999

IUPACmethyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccc(C)cc2)c[nH]1
InChIInChI=1S/C15H18N2O4S/c1-11-3-5-12(6-4-11)7-8-17-22(19,20)13-9-14(16-10-13)15(18)21-2/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyMNGOCMNOSVNPOF-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.63
Rot. Bonds6

About methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 22551999) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID22551999
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Namemethyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccc(C)cc2)c[nH]1
InChIInChI=1S/C15H18N2O4S/c1-11-3-5-12(6-4-11)7-8-17-22(19,20)13-9-14(16-10-13)15(18)21-2/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyMNGOCMNOSVNPOF-UHFFFAOYSA-N
XLogP1.63
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(benzylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 2810316
methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
methyl 4-[(5-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 22551846
methyl 4-phenyl-1H-pyrrole-2-carboxylate
CID 11593641
1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-methylphenyl)sulfonyl)-, ethyl ester
CID 464830
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(methylsulfamoyl)benzoate
CID 5170457
methyl 1-methyl-4-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate
CID 6623860
Methyl 4-[({1-[(4-methylphenyl)methyl]piperidin-4-YL}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 16025629
Methyl 4-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-YL}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 16025633
methyl 1-methyl-4-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate
CID 16025639
methyl 4-{[benzyl(tert-butyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938572

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate (CID 22551999) is methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCc2ccc(C)cc2)c[nH]1.
What is the InChIKey of methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is MNGOCMNOSVNPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11-3-5-12(6-4-11)7-8-17-22(19,20)13-9-14(16-10-13)15(18)21-2/h3-6,9-10,16-17H,7-8H2,1-2H3.
What are the key properties of methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-methylphenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 22551999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).