N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide

C9H10ClF3N2O3S — CID 177177358

IUPACN-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCc1nc(OCCNS(=O)(=O)C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H10ClF3N2O3S/c1-6-7(10)2-3-8(15-6)18-5-4-14-19(16,17)9(11,12)13/h2-3,14H,4-5H2,1H3
InChIKeyIUPMXGKXRNBGPL-UHFFFAOYSA-N
MW318.70 g/mol
LogP1.86
Rot. Bonds5

About N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 177177358) has the molecular formula C9H10ClF3N2O3S and a molecular weight of 318.70 g/mol. Its IUPAC name is N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID177177358
Molecular FormulaC9H10ClF3N2O3S
Molecular Weight318.70 g/mol
Exact Mass318.01
IUPAC NameN-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCc1nc(OCCNS(=O)(=O)C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H10ClF3N2O3S/c1-6-7(10)2-3-8(15-6)18-5-4-14-19(16,17)9(11,12)13/h2-3,14H,4-5H2,1H3
InChIKeyIUPMXGKXRNBGPL-UHFFFAOYSA-N
XLogP1.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.70
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide (CID 177177358) is N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide is Cc1nc(OCCNS(=O)(=O)C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is IUPMXGKXRNBGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O3S/c1-6-7(10)2-3-8(15-6)18-5-4-14-19(16,17)9(11,12)13/h2-3,14H,4-5H2,1H3.
What are the key properties of N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 318.70 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-6-methyl-2-pyridinyl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 177177358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).