N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide

C9H12F2N2O3S — CID 156507458

IUPACN-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide
SMILESCC(F)(F)COc1cncc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H12F2N2O3S/c1-9(10,11)6-16-8-3-7(4-12-5-8)13-17(2,14)15/h3-5,13H,6H2,1-2H3
InChIKeyDEJWLFYFJHQLDR-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.49
Rot. Bonds5

About N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide

N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide (PubChem CID 156507458) has the molecular formula C9H12F2N2O3S and a molecular weight of 266.27 g/mol. Its IUPAC name is N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide
PubChem CID156507458
Molecular FormulaC9H12F2N2O3S
Molecular Weight266.27 g/mol
Exact Mass266.05
IUPAC NameN-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide
SMILESCC(F)(F)COc1cncc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H12F2N2O3S/c1-9(10,11)6-16-8-3-7(4-12-5-8)13-17(2,14)15/h3-5,13H,6H2,1-2H3
InChIKeyDEJWLFYFJHQLDR-UHFFFAOYSA-N
XLogP1.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide (CID 156507458) is N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide is CC(F)(F)COc1cncc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide?
The InChIKey is DEJWLFYFJHQLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3S/c1-9(10,11)6-16-8-3-7(4-12-5-8)13-17(2,14)15/h3-5,13H,6H2,1-2H3.
What are the key properties of N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide?
N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide has a molecular weight of 266.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-difluoropropoxy)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 156507458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).