6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid

C14H14N2O4S — CID 53224571

IUPAC6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccccc1-c1cccc(C(=O)O)n1
InChIInChI=1S/C14H14N2O4S/c1-16(2)21(19,20)13-9-4-3-6-10(13)11-7-5-8-12(15-11)14(17)18/h3-9H,1-2H3,(H,17,18)
InChIKeyUYPCCAWTDMNTFB-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.70
Rot. Bonds4

About 6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid

6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 53224571) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid
PubChem CID53224571
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccccc1-c1cccc(C(=O)O)n1
InChIInChI=1S/C14H14N2O4S/c1-16(2)21(19,20)13-9-4-3-6-10(13)11-7-5-8-12(15-11)14(17)18/h3-9H,1-2H3,(H,17,18)
InChIKeyUYPCCAWTDMNTFB-UHFFFAOYSA-N
XLogP1.70
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid (CID 53224571) is 6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid is CN(C)S(=O)(=O)c1ccccc1-c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is UYPCCAWTDMNTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-16(2)21(19,20)13-9-4-3-6-10(13)11-7-5-8-12(15-11)14(17)18/h3-9H,1-2H3,(H,17,18).
What are the key properties of 6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid?
6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 53224571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).