4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride

C14H10Cl2F3NO3S — CID 140561683

IUPAC4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride
SMILESCc1cc(Oc2nccc(Cl)c2C(F)(F)F)cc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C14H10Cl2F3NO3S/c1-7-5-9(6-8(2)12(7)24(16,21)22)23-13-11(14(17,18)19)10(15)3-4-20-13/h3-6H,1-2H3
InChIKeyQQRZGNOYHGVVPD-UHFFFAOYSA-N
MW400.21 g/mol
LogP5.09
Rot. Bonds3

About 4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride

4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride (PubChem CID 140561683) has the molecular formula C14H10Cl2F3NO3S and a molecular weight of 400.21 g/mol. Its IUPAC name is 4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride
PubChem CID140561683
Molecular FormulaC14H10Cl2F3NO3S
Molecular Weight400.21 g/mol
Exact Mass398.97
IUPAC Name4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride
SMILESCc1cc(Oc2nccc(Cl)c2C(F)(F)F)cc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C14H10Cl2F3NO3S/c1-7-5-9(6-8(2)12(7)24(16,21)22)23-13-11(14(17,18)19)10(15)3-4-20-13/h3-6H,1-2H3
InChIKeyQQRZGNOYHGVVPD-UHFFFAOYSA-N
XLogP5.09
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.21
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118817072
2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87679057
4-chloro-2-methylpyridine-3-sulfonyl chloride
CID 151415584
1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride
CID 175251284
3-chloro-6-hydroxy-2-(trifluoromethyl)benzenesulfonyl chloride
CID 122199041
2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate
CID 22479344
2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911972
4-chloro-3-(trifluoromethyl)pyridin-2-amine;ethane
CID 167491380
4-tert-butyl-2,6-dimethylbenzenesulfonyl chloride
CID 3868506
2-(3-fluoro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 107168534
methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097693
2-(3,4-dichlorophenoxy)pyridine-3-sulfonyl chloride
CID 112573023

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride?
The IUPAC name of 4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride (CID 140561683) is 4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride is Cc1cc(Oc2nccc(Cl)c2C(F)(F)F)cc(C)c1S(=O)(=O)Cl.
What is the InChIKey of 4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride?
The InChIKey is QQRZGNOYHGVVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO3S/c1-7-5-9(6-8(2)12(7)24(16,21)22)23-13-11(14(17,18)19)10(15)3-4-20-13/h3-6H,1-2H3.
What are the key properties of 4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride?
4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride has a molecular weight of 400.21 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-3-(trifluoromethyl)-2-pyridinyl]oxy]-2,6-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 140561683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).