N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide

C9H13FN2O2S — CID 70918127

IUPACN-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide
SMILESCC(C)c1cc(F)nc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H13FN2O2S/c1-6(2)7-4-8(10)11-9(5-7)12-15(3,13)14/h4-6H,1-3H3,(H,11,12)
InChIKeyUOXCEWZWFHPAPJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.72
Rot. Bonds3

About N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide

N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide (PubChem CID 70918127) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide
PubChem CID70918127
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC NameN-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide
SMILESCC(C)c1cc(F)nc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H13FN2O2S/c1-6(2)7-4-8(10)11-9(5-7)12-15(3,13)14/h4-6H,1-3H3,(H,11,12)
InChIKeyUOXCEWZWFHPAPJ-UHFFFAOYSA-N
XLogP1.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide?
The IUPAC name of N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide (CID 70918127) is N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide is CC(C)c1cc(F)nc(NS(C)(=O)=O)c1.
What is the InChIKey of N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide?
The InChIKey is UOXCEWZWFHPAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-6(2)7-4-8(10)11-9(5-7)12-15(3,13)14/h4-6H,1-3H3,(H,11,12).
What are the key properties of N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide?
N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide has a molecular weight of 232.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-4-propan-2-yl-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 70918127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).