5-(butylsulfonylamino)pyridine-2-carboxylic acid

C10H14N2O4S — CID 12640222

IUPAC5-(butylsulfonylamino)pyridine-2-carboxylic acid
SMILESCCCCS(=O)(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H14N2O4S/c1-2-3-6-17(15,16)12-8-4-5-9(10(13)14)11-7-8/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyUERRCAQIINFYNE-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.32
Rot. Bonds6

About 5-(butylsulfonylamino)pyridine-2-carboxylic acid

5-(butylsulfonylamino)pyridine-2-carboxylic acid (PubChem CID 12640222) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(butylsulfonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(butylsulfonylamino)pyridine-2-carboxylic acid
PubChem CID12640222
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name5-(butylsulfonylamino)pyridine-2-carboxylic acid
SMILESCCCCS(=O)(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H14N2O4S/c1-2-3-6-17(15,16)12-8-4-5-9(10(13)14)11-7-8/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyUERRCAQIINFYNE-UHFFFAOYSA-N
XLogP1.32
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(butylsulfonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(butylsulfonylamino)pyridine-2-carboxylic acid (CID 12640222) is 5-(butylsulfonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(butylsulfonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(butylsulfonylamino)pyridine-2-carboxylic acid is CCCCS(=O)(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(butylsulfonylamino)pyridine-2-carboxylic acid?
The InChIKey is UERRCAQIINFYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-2-3-6-17(15,16)12-8-4-5-9(10(13)14)11-7-8/h4-5,7,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 5-(butylsulfonylamino)pyridine-2-carboxylic acid?
5-(butylsulfonylamino)pyridine-2-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylsulfonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 12640222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).