2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine

C13H9ClF3NO2S — CID 1475890

IUPAC2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C13H9ClF3NO2S/c14-11-6-9(13(15,16)17)7-18-12(11)8-21(19,20)10-4-2-1-3-5-10/h1-7H,8H2
InChIKeyJUSNYSXYVNBTLK-UHFFFAOYSA-N
MW335.73 g/mol
LogP3.73
Rot. Bonds3

About 2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine

2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine (PubChem CID 1475890) has the molecular formula C13H9ClF3NO2S and a molecular weight of 335.73 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
PubChem CID1475890
Molecular FormulaC13H9ClF3NO2S
Molecular Weight335.73 g/mol
Exact Mass335.00
IUPAC Name2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1
InChIInChI=1S/C13H9ClF3NO2S/c14-11-6-9(13(15,16)17)7-18-12(11)8-21(19,20)10-4-2-1-3-5-10/h1-7H,8H2
InChIKeyJUSNYSXYVNBTLK-UHFFFAOYSA-N
XLogP3.73
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
CID 134966661
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine
CID 63196526
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
CID 22637222
2-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]isoindole-1,3-dione
CID 68783163
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-phenylurea
CID 2745366
2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 141280156
5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 110208738
2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine
CID 166452013
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophene-2-sulfonic acid
CID 3813327
3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine
CID 2766735
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide
CID 3848305

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine (CID 1475890) is 2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine is O=S(=O)(Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine?
The InChIKey is JUSNYSXYVNBTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2S/c14-11-6-9(13(15,16)17)7-18-12(11)8-21(19,20)10-4-2-1-3-5-10/h1-7H,8H2.
What are the key properties of 2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine?
2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine has a molecular weight of 335.73 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 1475890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).