4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

C14H12ClF3N2O2S — CID 2567529

IUPAC4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H12ClF3N2O2S/c15-13-5-4-11(9-12(13)14(16,17)18)23(21,22)20-8-6-10-3-1-2-7-19-10/h1-5,7,9,20H,6,8H2
InChIKeyJQPABBHKRFRILB-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.27
Rot. Bonds5

About 4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2567529) has the molecular formula C14H12ClF3N2O2S and a molecular weight of 364.78 g/mol. Its IUPAC name is 4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2567529
Molecular FormulaC14H12ClF3N2O2S
Molecular Weight364.78 g/mol
Exact Mass364.03
IUPAC Name4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H12ClF3N2O2S/c15-13-5-4-11(9-12(13)14(16,17)18)23(21,22)20-8-6-10-3-1-2-7-19-10/h1-5,7,9,20H,6,8H2
InChIKeyJQPABBHKRFRILB-UHFFFAOYSA-N
XLogP3.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 2567529) is 4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccn1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JQPABBHKRFRILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2S/c15-13-5-4-11(9-12(13)14(16,17)18)23(21,22)20-8-6-10-3-1-2-7-19-10/h1-5,7,9,20H,6,8H2.
What are the key properties of 4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 364.78 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2567529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).