N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide

C12H8ClF3N2O3S — CID 11462316

IUPACN-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccncc1Oc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C12H8ClF3N2O3S/c13-8-3-1-2-4-10(8)21-11-7-17-6-5-9(11)18-22(19,20)12(14,15)16/h1-7H,(H,17,18)
InChIKeySWQGCPSWRKAIFP-UHFFFAOYSA-N
MW352.72 g/mol
LogP3.79
Rot. Bonds4

About N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide

N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 11462316) has the molecular formula C12H8ClF3N2O3S and a molecular weight of 352.72 g/mol. Its IUPAC name is N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID11462316
Molecular FormulaC12H8ClF3N2O3S
Molecular Weight352.72 g/mol
Exact Mass351.99
IUPAC NameN-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccncc1Oc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C12H8ClF3N2O3S/c13-8-3-1-2-4-10(8)21-11-7-17-6-5-9(11)18-22(19,20)12(14,15)16/h1-7H,(H,17,18)
InChIKeySWQGCPSWRKAIFP-UHFFFAOYSA-N
XLogP3.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide (CID 11462316) is N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1ccncc1Oc1ccccc1Cl)C(F)(F)F.
What is the InChIKey of N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is SWQGCPSWRKAIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O3S/c13-8-3-1-2-4-10(8)21-11-7-17-6-5-9(11)18-22(19,20)12(14,15)16/h1-7H,(H,17,18).
What are the key properties of N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide?
N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 352.72 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 11462316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).