3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid

C16H19N3O4S — CID 153363528

IUPAC3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNS(=O)(=O)n1ccc(-c2ccc(C3CCNCC3)cc2)c1C(=O)O
InChIInChI=1S/C16H19N3O4S/c17-24(22,23)19-10-7-14(15(19)16(20)21)13-3-1-11(2-4-13)12-5-8-18-9-6-12/h1-4,7,10,12,18H,5-6,8-9H2,(H,20,21)(H2,17,22,23)
InChIKeySYMAXUCOVKFWPD-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.37
Rot. Bonds4

About 3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid

3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid (PubChem CID 153363528) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid
PubChem CID153363528
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNS(=O)(=O)n1ccc(-c2ccc(C3CCNCC3)cc2)c1C(=O)O
InChIInChI=1S/C16H19N3O4S/c17-24(22,23)19-10-7-14(15(19)16(20)21)13-3-1-11(2-4-13)12-5-8-18-9-6-12/h1-4,7,10,12,18H,5-6,8-9H2,(H,20,21)(H2,17,22,23)
InChIKeySYMAXUCOVKFWPD-UHFFFAOYSA-N
XLogP1.37
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The IUPAC name of 3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid (CID 153363528) is 3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid is NS(=O)(=O)n1ccc(-c2ccc(C3CCNCC3)cc2)c1C(=O)O.
What is the InChIKey of 3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
The InChIKey is SYMAXUCOVKFWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c17-24(22,23)19-10-7-14(15(19)16(20)21)13-3-1-11(2-4-13)12-5-8-18-9-6-12/h1-4,7,10,12,18H,5-6,8-9H2,(H,20,21)(H2,17,22,23).
What are the key properties of 3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid?
3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-ylphenyl)-1-sulfamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 153363528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).