5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride

C8H5Cl2F3O3S — CID 86811485

IUPAC5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride
SMILESCc1cc(OC(F)(F)F)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H5Cl2F3O3S/c1-4-2-6(16-8(11,12)13)5(9)3-7(4)17(10,14)15/h2-3H,1H3
InChIKeyDGJYYWCBRHWJEO-UHFFFAOYSA-N
MW309.09 g/mol
LogP3.47
Rot. Bonds2

About 5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride

5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 86811485) has the molecular formula C8H5Cl2F3O3S and a molecular weight of 309.09 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID86811485
Molecular FormulaC8H5Cl2F3O3S
Molecular Weight309.09 g/mol
Exact Mass307.93
IUPAC Name5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride
SMILESCc1cc(OC(F)(F)F)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H5Cl2F3O3S/c1-4-2-6(16-8(11,12)13)5(9)3-7(4)17(10,14)15/h2-3H,1H3
InChIKeyDGJYYWCBRHWJEO-UHFFFAOYSA-N
XLogP3.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride (CID 86811485) is 5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride is Cc1cc(OC(F)(F)F)c(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is DGJYYWCBRHWJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3O3S/c1-4-2-6(16-8(11,12)13)5(9)3-7(4)17(10,14)15/h2-3H,1H3.
What are the key properties of 5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride?
5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 309.09 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 86811485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).