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

C14H14N2O6S — CID 22552111

IUPACmethyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1
InChIInChI=1S/C14H14N2O6S/c1-21-13(17)9-3-5-10(6-4-9)16-23(19,20)11-7-12(15-8-11)14(18)22-2/h3-8,15-16H,1-2H3
InChIKeyXLVWJAFBMSBGLS-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.39
Rot. Bonds5

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

methyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 22552111) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is methyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID22552111
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Namemethyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1
InChIInChI=1S/C14H14N2O6S/c1-21-13(17)9-3-5-10(6-4-9)16-23(19,20)11-7-12(15-8-11)14(18)22-2/h3-8,15-16H,1-2H3
InChIKeyXLVWJAFBMSBGLS-UHFFFAOYSA-N
XLogP1.39
TPSA114.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 22552111) is methyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is XLVWJAFBMSBGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-21-13(17)9-3-5-10(6-4-9)16-23(19,20)11-7-12(15-8-11)14(18)22-2/h3-8,15-16H,1-2H3.
What are the key properties of methyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 338.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxycarbonylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 22552111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).