5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide

C20H17F3N2O4S2 — CID 57430666

IUPAC5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccncc1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O4S2/c21-20(22,23)18-7-6-17(30(26,27)16-4-2-1-3-5-16)14-19(18)31(28,29)25-13-10-15-8-11-24-12-9-15/h1-9,11-12,14,25H,10,13H2
InChIKeyPMIPWIUJGHXQTL-UHFFFAOYSA-N
MW470.49 g/mol
LogP3.45
Rot. Bonds7

About 5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide

5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 57430666) has the molecular formula C20H17F3N2O4S2 and a molecular weight of 470.49 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID57430666
Molecular FormulaC20H17F3N2O4S2
Molecular Weight470.49 g/mol
Exact Mass470.06
IUPAC Name5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccncc1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O4S2/c21-20(22,23)18-7-6-17(30(26,27)16-4-2-1-3-5-16)14-19(18)31(28,29)25-13-10-15-8-11-24-12-9-15/h1-9,11-12,14,25H,10,13H2
InChIKeyPMIPWIUJGHXQTL-UHFFFAOYSA-N
XLogP3.45
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 57430666) is 5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCc1ccncc1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F.
What is the InChIKey of 5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PMIPWIUJGHXQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4S2/c21-20(22,23)18-7-6-17(30(26,27)16-4-2-1-3-5-16)14-19(18)31(28,29)25-13-10-15-8-11-24-12-9-15/h1-9,11-12,14,25H,10,13H2.
What are the key properties of 5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 470.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 57430666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).