N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide

C12H16F3N3O3S — CID 91625468

IUPACN,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C12H16F3N3O3S/c1-17(2)22(19,20)18-6-4-10(8-18)21-11-7-9(3-5-16-11)12(13,14)15/h3,5,7,10H,4,6,8H2,1-2H3
InChIKeyJHVPEBUCVIUUIT-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.36
Rot. Bonds4

About N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide

N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide (PubChem CID 91625468) has the molecular formula C12H16F3N3O3S and a molecular weight of 339.34 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide
PubChem CID91625468
Molecular FormulaC12H16F3N3O3S
Molecular Weight339.34 g/mol
Exact Mass339.09
IUPAC NameN,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C12H16F3N3O3S/c1-17(2)22(19,20)18-6-4-10(8-18)21-11-7-9(3-5-16-11)12(13,14)15/h3,5,7,10H,4,6,8H2,1-2H3
InChIKeyJHVPEBUCVIUUIT-UHFFFAOYSA-N
XLogP1.36
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.36
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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide (CID 91625468) is N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide?
The InChIKey is JHVPEBUCVIUUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3S/c1-17(2)22(19,20)18-6-4-10(8-18)21-11-7-9(3-5-16-11)12(13,14)15/h3,5,7,10H,4,6,8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide?
N,N-dimethyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide has a molecular weight of 339.34 g/mol, XLogP of 1.36, 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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 91625468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).