6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid

C12H16N2O4S — CID 63643438

IUPAC6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C12H16N2O4S/c15-12(16)10-7-4-8-11(13-10)14-19(17,18)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,14)(H,15,16)
InChIKeyWOBCMKBORVICHI-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.85
Rot. Bonds4

About 6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid

6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid (PubChem CID 63643438) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
PubChem CID63643438
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C12H16N2O4S/c15-12(16)10-7-4-8-11(13-10)14-19(17,18)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,14)(H,15,16)
InChIKeyWOBCMKBORVICHI-UHFFFAOYSA-N
XLogP1.85
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid (CID 63643438) is 6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid is O=C(O)c1cccc(NS(=O)(=O)C2CCCCC2)n1.
What is the InChIKey of 6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid?
The InChIKey is WOBCMKBORVICHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-12(16)10-7-4-8-11(13-10)14-19(17,18)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid?
6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 63643438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).