4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

C15H15N3O5S — CID 51106119

IUPAC4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c[nH]1
InChIInChI=1S/C15H15N3O5S/c19-14(9-4-5-9)17-10-2-1-3-11(6-10)18-24(22,23)12-7-13(15(20)21)16-8-12/h1-3,6-9,16,18H,4-5H2,(H,17,19)(H,20,21)
InChIKeyILTOPVIHVYHFRB-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.86
Rot. Bonds6

About 4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 51106119) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID51106119
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c[nH]1
InChIInChI=1S/C15H15N3O5S/c19-14(9-4-5-9)17-10-2-1-3-11(6-10)18-24(22,23)12-7-13(15(20)21)16-8-12/h1-3,6-9,16,18H,4-5H2,(H,17,19)(H,20,21)
InChIKeyILTOPVIHVYHFRB-UHFFFAOYSA-N
XLogP1.86
TPSA128.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 51106119) is 4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c[nH]1.
What is the InChIKey of 4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is ILTOPVIHVYHFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c19-14(9-4-5-9)17-10-2-1-3-11(6-10)18-24(22,23)12-7-13(15(20)21)16-8-12/h1-3,6-9,16,18H,4-5H2,(H,17,19)(H,20,21).
What are the key properties of 4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 349.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 51106119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).