N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide

C11H14F3N3O3S — CID 122252108

IUPACN,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H14F3N3O3S/c1-16(2)21(18,19)17-6-8(7-17)20-10-5-3-4-9(15-10)11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyQFKWWZZCMOPGFP-UHFFFAOYSA-N
MW325.31 g/mol
LogP0.97
Rot. Bonds4

About N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide

N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide (PubChem CID 122252108) has the molecular formula C11H14F3N3O3S and a molecular weight of 325.31 g/mol. Its IUPAC name is N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide
PubChem CID122252108
Molecular FormulaC11H14F3N3O3S
Molecular Weight325.31 g/mol
Exact Mass325.07
IUPAC NameN,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H14F3N3O3S/c1-16(2)21(18,19)17-6-8(7-17)20-10-5-3-4-9(15-10)11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyQFKWWZZCMOPGFP-UHFFFAOYSA-N
XLogP0.97
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide (CID 122252108) is N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide?
The InChIKey is QFKWWZZCMOPGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3S/c1-16(2)21(18,19)17-6-8(7-17)20-10-5-3-4-9(15-10)11(12,13)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide?
N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide has a molecular weight of 325.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-sulfonamide is sourced from PubChem (CID 122252108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).