N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide

C7H9FN2O2S — CID 70918144

IUPACN-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1cc(F)nc(NS(C)(=O)=O)c1
InChIInChI=1S/C7H9FN2O2S/c1-5-3-6(8)9-7(4-5)10-13(2,11)12/h3-4H,1-2H3,(H,9,10)
InChIKeyYZYUJIDWLIREHY-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.90
Rot. Bonds2

About N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide

N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide (PubChem CID 70918144) has the molecular formula C7H9FN2O2S and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide
PubChem CID70918144
Molecular FormulaC7H9FN2O2S
Molecular Weight204.23 g/mol
Exact Mass204.04
IUPAC NameN-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1cc(F)nc(NS(C)(=O)=O)c1
InChIInChI=1S/C7H9FN2O2S/c1-5-3-6(8)9-7(4-5)10-13(2,11)12/h3-4H,1-2H3,(H,9,10)
InChIKeyYZYUJIDWLIREHY-UHFFFAOYSA-N
XLogP0.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.90
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-methyl-2-pyridinyl)methanesulfonamide?
The IUPAC name of N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide (CID 70918144) is N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide is Cc1cc(F)nc(NS(C)(=O)=O)c1.
What is the InChIKey of N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide?
The InChIKey is YZYUJIDWLIREHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2S/c1-5-3-6(8)9-7(4-5)10-13(2,11)12/h3-4H,1-2H3,(H,9,10).
What are the key properties of N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide?
N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide has a molecular weight of 204.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-4-methyl-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 70918144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).