6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride

C13H11ClFN3O5S — CID 45263973

IUPAC6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(F)c1
InChIInChI=1S/C13H10FN3O5S.ClH/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20;/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22);1H
InChIKeyQIHTWYBWQCJOMA-UHFFFAOYSA-N
MW375.77 g/mol
LogP1.24
Rot. Bonds4

About 6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride

6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 45263973) has the molecular formula C13H11ClFN3O5S and a molecular weight of 375.77 g/mol. Its IUPAC name is 6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride
PubChem CID45263973
Molecular FormulaC13H11ClFN3O5S
Molecular Weight375.77 g/mol
Exact Mass375.01
IUPAC Name6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(F)c1
InChIInChI=1S/C13H10FN3O5S.ClH/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20;/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22);1H
InChIKeyQIHTWYBWQCJOMA-UHFFFAOYSA-N
XLogP1.24
TPSA139.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.77
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride (CID 45263973) is 6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride is Cl.NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(F)c1.
What is the InChIKey of 6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is QIHTWYBWQCJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O5S.ClH/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20;/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22);1H.
What are the key properties of 6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride?
6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 375.77 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 45263973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).