N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide

C15H15F3N2O2S — CID 5003248

IUPACN-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2S/c1-2-20(11-12-7-9-19-10-8-12)23(21,22)14-5-3-13(4-6-14)15(16,17)18/h3-10H,2,11H2,1H3
InChIKeyRTZBLRDTTVDJSY-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.31
Rot. Bonds5

About N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide

N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 5003248) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID5003248
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC NameN-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2S/c1-2-20(11-12-7-9-19-10-8-12)23(21,22)14-5-3-13(4-6-14)15(16,17)18/h3-10H,2,11H2,1H3
InChIKeyRTZBLRDTTVDJSY-UHFFFAOYSA-N
XLogP3.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide (CID 5003248) is N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide is CCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RTZBLRDTTVDJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-2-20(11-12-7-9-19-10-8-12)23(21,22)14-5-3-13(4-6-14)15(16,17)18/h3-10H,2,11H2,1H3.
What are the key properties of N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 344.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 5003248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).