2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride

C13H7Cl2F3O3S — CID 54025118

IUPAC2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7Cl2F3O3S/c14-9-7-8(13(16,17)18)5-6-10(9)21-11-3-1-2-4-12(11)22(15,19)20/h1-7H
InChIKeyLBQOABNBUUEUTJ-UHFFFAOYSA-N
MW371.16 g/mol
LogP5.08
Rot. Bonds3

About 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride

2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride (PubChem CID 54025118) has the molecular formula C13H7Cl2F3O3S and a molecular weight of 371.16 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
PubChem CID54025118
Molecular FormulaC13H7Cl2F3O3S
Molecular Weight371.16 g/mol
Exact Mass369.94
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7Cl2F3O3S/c14-9-7-8(13(16,17)18)5-6-10(9)21-11-3-1-2-4-12(11)22(15,19)20/h1-7H
InChIKeyLBQOABNBUUEUTJ-UHFFFAOYSA-N
XLogP5.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.16
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonic acid
CID 155146123
1-(3-Chloro-5-fluorophenoxy)-4-(trifluoromethyl)-2-(trifluoromethylsulfonyl)benzene
CID 117942899
8-Chloro-3-fluoro-2-phenyl-1,4lambda6-benzoxathiine 4,4-dioxide
CID 162410470
2-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]benzenesulfonyl fluoride
CID 164674635
4-(2-Chloro-4-trifluoromethylphenoxy)benzene
CID 12918171
2-Chloro-1-[4-(chloromethyl)phenoxy]-4-(trifluoromethyl)benzene
CID 13069864
1,3-Dichloro-2-[3-methyl-4-(trifluoromethylsulfonyl)phenoxy]-5-(trifluoromethyl)benzene
CID 14772302
5-[2-Chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-cyanobenzenesulfonyl chloride
CID 14998336
2-Chloro-1-(3-fluorophenoxy)-4-(trifluoromethyl)benzene
CID 19932393
2-Chloro-1-(4-chlorophenoxy)-4-(trifluoromethyl)benzene
CID 20258576
1-[2-(Benzenesulfonyl)phenoxy]-2-chloro-4-(trifluoromethyl)benzene
CID 20267402
2-Chloro-3-[4-(trifluoromethyl)phenoxy]benzenesulfonic acid
CID 20267403

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride (CID 54025118) is 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccccc1Oc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride?
The InChIKey is LBQOABNBUUEUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3O3S/c14-9-7-8(13(16,17)18)5-6-10(9)21-11-3-1-2-4-12(11)22(15,19)20/h1-7H.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride?
2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride has a molecular weight of 371.16 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride is sourced from PubChem (CID 54025118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).