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

C13H11F3N2O3S — CID 17154265

IUPACN-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O3S/c14-13(15,16)21-11-4-6-12(7-5-11)22(19,20)18-9-10-3-1-2-8-17-10/h1-8,18H,9H2
InChIKeyGBIIJEKUQUHJQK-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.46
Rot. Bonds5

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

N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 17154265) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID17154265
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC NameN-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O3S/c14-13(15,16)21-11-4-6-12(7-5-11)22(19,20)18-9-10-3-1-2-8-17-10/h1-8,18H,9H2
InChIKeyGBIIJEKUQUHJQK-UHFFFAOYSA-N
XLogP2.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 17154265) is N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1ccccn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is GBIIJEKUQUHJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c14-13(15,16)21-11-4-6-12(7-5-11)22(19,20)18-9-10-3-1-2-8-17-10/h1-8,18H,9H2.
What are the key properties of N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 332.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 17154265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).