methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate

C15H13N3O5S — CID 20914910

IUPACmethyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cccc(-c3ccno3)c2)c[nH]1
InChIInChI=1S/C15H13N3O5S/c1-22-15(19)13-8-12(9-16-13)24(20,21)18-11-4-2-3-10(7-11)14-5-6-17-23-14/h2-9,16,18H,1H3
InChIKeyXVZJNKRDWUNDCD-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.26
Rot. Bonds5

About methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 20914910) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID20914910
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Namemethyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cccc(-c3ccno3)c2)c[nH]1
InChIInChI=1S/C15H13N3O5S/c1-22-15(19)13-8-12(9-16-13)24(20,21)18-11-4-2-3-10(7-11)14-5-6-17-23-14/h2-9,16,18H,1H3
InChIKeyXVZJNKRDWUNDCD-UHFFFAOYSA-N
XLogP2.26
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate (CID 20914910) is methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2cccc(-c3ccno3)c2)c[nH]1.
What is the InChIKey of methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is XVZJNKRDWUNDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-22-15(19)13-8-12(9-16-13)24(20,21)18-11-4-2-3-10(7-11)14-5-6-17-23-14/h2-9,16,18H,1H3.
What are the key properties of methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 347.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 20914910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).