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

C13H14N2O5S — CID 6625855

IUPACmethyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)c[nH]1
InChIInChI=1S/C13H14N2O5S/c1-19-10-5-3-9(4-6-10)15-21(17,18)11-7-12(14-8-11)13(16)20-2/h3-8,14-15H,1-2H3
InChIKeyBSJWITAGRKSHRY-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.61
Rot. Bonds5

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

methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 6625855) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID6625855
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Namemethyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)c[nH]1
InChIInChI=1S/C13H14N2O5S/c1-19-10-5-3-9(4-6-10)15-21(17,18)11-7-12(14-8-11)13(16)20-2/h3-8,14-15H,1-2H3
InChIKeyBSJWITAGRKSHRY-UHFFFAOYSA-N
XLogP1.61
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 6625855) is methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)c[nH]1.
What is the InChIKey of methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is BSJWITAGRKSHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-19-10-5-3-9(4-6-10)15-21(17,18)11-7-12(14-8-11)13(16)20-2/h3-8,14-15H,1-2H3.
What are the key properties of methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 310.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 6625855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).