3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid

C12H11N3O5S — CID 146975542

IUPAC3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNC(=O)c1ccc(-c2ccn(S(N)(=O)=O)c2C(=O)O)cc1
InChIInChI=1S/C12H11N3O5S/c13-11(16)8-3-1-7(2-4-8)9-5-6-15(21(14,19)20)10(9)12(17)18/h1-6H,(H2,13,16)(H,17,18)(H2,14,19,20)
InChIKeyANGUVNAYSNMJTR-UHFFFAOYSA-N
MW309.30 g/mol
LogP0.00
Rot. Bonds4

About 3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid

3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid (PubChem CID 146975542) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid
PubChem CID146975542
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Name3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNC(=O)c1ccc(-c2ccn(S(N)(=O)=O)c2C(=O)O)cc1
InChIInChI=1S/C12H11N3O5S/c13-11(16)8-3-1-7(2-4-8)9-5-6-15(21(14,19)20)10(9)12(17)18/h1-6H,(H2,13,16)(H,17,18)(H2,14,19,20)
InChIKeyANGUVNAYSNMJTR-UHFFFAOYSA-N
XLogP0.00
TPSA145.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The IUPAC name of 3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid (CID 146975542) is 3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid is NC(=O)c1ccc(-c2ccn(S(N)(=O)=O)c2C(=O)O)cc1.
What is the InChIKey of 3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The InChIKey is ANGUVNAYSNMJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c13-11(16)8-3-1-7(2-4-8)9-5-6-15(21(14,19)20)10(9)12(17)18/h1-6H,(H2,13,16)(H,17,18)(H2,14,19,20).
What are the key properties of 3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid has a molecular weight of 309.30 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 146975542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).