3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine

C13H9ClF3NO2S — CID 86192063

IUPAC3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine
SMILESCc1ccc(S(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H9ClF3NO2S/c1-8-2-4-10(5-3-8)21(19,20)12-11(14)6-9(7-18-12)13(15,16)17/h2-7H,1H3
InChIKeyYQFVIRWNDOEWEX-UHFFFAOYSA-N
MW335.73 g/mol
LogP3.90
Rot. Bonds2

About 3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine

3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine (PubChem CID 86192063) has the molecular formula C13H9ClF3NO2S and a molecular weight of 335.73 g/mol. Its IUPAC name is 3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine
PubChem CID86192063
Molecular FormulaC13H9ClF3NO2S
Molecular Weight335.73 g/mol
Exact Mass335.00
IUPAC Name3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine
SMILESCc1ccc(S(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H9ClF3NO2S/c1-8-2-4-10(5-3-8)21(19,20)12-11(14)6-9(7-18-12)13(15,16)17/h2-7H,1H3
InChIKeyYQFVIRWNDOEWEX-UHFFFAOYSA-N
XLogP3.90
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943
N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370854
4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole
CID 138377314
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87206404
3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide
CID 167920250
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide
CID 8523482
N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370068
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 66601329
3-chloro-2-(4-methyl-2-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 24507947
3-chloro-2-[[5-(4-chlorophenyl)sulfonylthiophen-2-yl]methyl]-5-(trifluoromethyl)pyridine
CID 4616259
2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 1475890

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine (CID 86192063) is 3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine is Cc1ccc(S(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine?
The InChIKey is YQFVIRWNDOEWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2S/c1-8-2-4-10(5-3-8)21(19,20)12-11(14)6-9(7-18-12)13(15,16)17/h2-7H,1H3.
What are the key properties of 3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine has a molecular weight of 335.73 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 86192063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).