6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid

C14H13N3O5S — CID 10759222

IUPAC6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C14H13N3O5S/c15-23(21,22)10-6-4-9(5-7-10)8-16-13(18)11-2-1-3-12(17-11)14(19)20/h1-7H,8H2,(H,16,18)(H,19,20)(H2,15,21,22)
InChIKeyRPYMZKOBHFMXFT-UHFFFAOYSA-N
MW335.34 g/mol
LogP0.36
Rot. Bonds5

About 6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid

6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 10759222) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID10759222
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C14H13N3O5S/c15-23(21,22)10-6-4-9(5-7-10)8-16-13(18)11-2-1-3-12(17-11)14(19)20/h1-7H,8H2,(H,16,18)(H,19,20)(H2,15,21,22)
InChIKeyRPYMZKOBHFMXFT-UHFFFAOYSA-N
XLogP0.36
TPSA139.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 10759222) is 6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid is NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is RPYMZKOBHFMXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c15-23(21,22)10-6-4-9(5-7-10)8-16-13(18)11-2-1-3-12(17-11)14(19)20/h1-7H,8H2,(H,16,18)(H,19,20)(H2,15,21,22).
What are the key properties of 6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 335.34 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-sulfamoylphenyl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10759222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).