3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid

C10H10N4O4S — CID 146905341

IUPAC3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNc1ccc(-c2ccn(S(N)(=O)=O)c2C(=O)O)cn1
InChIInChI=1S/C10H10N4O4S/c11-8-2-1-6(5-13-8)7-3-4-14(19(12,17)18)9(7)10(15)16/h1-5H,(H2,11,13)(H,15,16)(H2,12,17,18)
InChIKeyAAGODIRAFGAKHV-UHFFFAOYSA-N
MW282.28 g/mol
LogP-0.12
Rot. Bonds3

About 3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid

3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid (PubChem CID 146905341) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid
PubChem CID146905341
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Name3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNc1ccc(-c2ccn(S(N)(=O)=O)c2C(=O)O)cn1
InChIInChI=1S/C10H10N4O4S/c11-8-2-1-6(5-13-8)7-3-4-14(19(12,17)18)9(7)10(15)16/h1-5H,(H2,11,13)(H,15,16)(H2,12,17,18)
InChIKeyAAGODIRAFGAKHV-UHFFFAOYSA-N
XLogP-0.12
TPSA141.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The IUPAC name of 3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid (CID 146905341) is 3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid is Nc1ccc(-c2ccn(S(N)(=O)=O)c2C(=O)O)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The InChIKey is AAGODIRAFGAKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c11-8-2-1-6(5-13-8)7-3-4-14(19(12,17)18)9(7)10(15)16/h1-5H,(H2,11,13)(H,15,16)(H2,12,17,18).
What are the key properties of 3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid?
3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 146905341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).