methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

C14H14N2O5S — CID 22552018

IUPACmethyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c[nH]1
InChIInChI=1S/C14H14N2O5S/c1-9(17)10-4-3-5-11(6-10)16-22(19,20)12-7-13(15-8-12)14(18)21-2/h3-8,15-16H,1-2H3
InChIKeyULXIOASYJSAAIJ-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.80
Rot. Bonds5

About methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 22552018) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID22552018
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Namemethyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c[nH]1
InChIInChI=1S/C14H14N2O5S/c1-9(17)10-4-3-5-11(6-10)16-22(19,20)12-7-13(15-8-12)14(18)21-2/h3-8,15-16H,1-2H3
InChIKeyULXIOASYJSAAIJ-UHFFFAOYSA-N
XLogP1.80
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 22552018) is methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c[nH]1.
What is the InChIKey of methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is ULXIOASYJSAAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-9(17)10-4-3-5-11(6-10)16-22(19,20)12-7-13(15-8-12)14(18)21-2/h3-8,15-16H,1-2H3.
What are the key properties of methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 322.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 22552018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).