N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide

C15H12F6N2O3S — CID 52907216

IUPACN-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccn1)CC(F)(F)F
InChIInChI=1S/C15H12F6N2O3S/c16-14(17,18)10-23(9-11-3-1-2-8-22-11)27(24,25)13-6-4-12(5-7-13)26-15(19,20)21/h1-8H,9-10H2
InChIKeyPDYAVOFQKFCNCN-UHFFFAOYSA-N
MW414.33 g/mol
LogP3.73
Rot. Bonds6

About N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 52907216) has the molecular formula C15H12F6N2O3S and a molecular weight of 414.33 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID52907216
Molecular FormulaC15H12F6N2O3S
Molecular Weight414.33 g/mol
Exact Mass414.05
IUPAC NameN-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccn1)CC(F)(F)F
InChIInChI=1S/C15H12F6N2O3S/c16-14(17,18)10-23(9-11-3-1-2-8-22-11)27(24,25)13-6-4-12(5-7-13)26-15(19,20)21/h1-8H,9-10H2
InChIKeyPDYAVOFQKFCNCN-UHFFFAOYSA-N
XLogP3.73
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 52907216) is N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1ccccn1)CC(F)(F)F.
What is the InChIKey of N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PDYAVOFQKFCNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2O3S/c16-14(17,18)10-23(9-11-3-1-2-8-22-11)27(24,25)13-6-4-12(5-7-13)26-15(19,20)21/h1-8H,9-10H2.
What are the key properties of N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 414.33 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 52907216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).