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

C13H10ClN3O5S — CID 10713226

IUPAC6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Cl)c1
InChIInChI=1S/C13H10ClN3O5S/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)
InChIKeyRHIQZEGCJJGTHC-UHFFFAOYSA-N
MW355.76 g/mol
LogP1.33
Rot. Bonds4

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

6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 10713226) has the molecular formula C13H10ClN3O5S and a molecular weight of 355.76 g/mol. Its IUPAC name is 6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID10713226
Molecular FormulaC13H10ClN3O5S
Molecular Weight355.76 g/mol
Exact Mass355.00
IUPAC Name6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Cl)c1
InChIInChI=1S/C13H10ClN3O5S/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)
InChIKeyRHIQZEGCJJGTHC-UHFFFAOYSA-N
XLogP1.33
TPSA139.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 10713226) is 6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(Cl)c1.
What is the InChIKey of 6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is RHIQZEGCJJGTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O5S/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).
What are the key properties of 6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 355.76 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10713226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).