2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid

C10H14N2O4S — CID 70384497

IUPAC2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1ncccc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)12-17(15,16)8-7(9(13)14)5-4-6-11-8/h4-6,12H,1-3H3,(H,13,14)
InChIKeyQVZHGILPVSPOSZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.86
Rot. Bonds3

About 2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid

2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid (PubChem CID 70384497) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid
PubChem CID70384497
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1ncccc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)12-17(15,16)8-7(9(13)14)5-4-6-11-8/h4-6,12H,1-3H3,(H,13,14)
InChIKeyQVZHGILPVSPOSZ-UHFFFAOYSA-N
XLogP0.86
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid (CID 70384497) is 2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid is CC(C)(C)NS(=O)(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid?
The InChIKey is QVZHGILPVSPOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-10(2,3)12-17(15,16)8-7(9(13)14)5-4-6-11-8/h4-6,12H,1-3H3,(H,13,14).
What are the key properties of 2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid?
2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 70384497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).