2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride

C7H3Cl2F3O3S — CID 13322055

IUPAC2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C7H3Cl2F3O3S/c8-5-2-1-4(15-7(10,11)12)3-6(5)16(9,13)14/h1-3H
InChIKeyJGKVFWNIQYMJCN-UHFFFAOYSA-N
MW295.07 g/mol
LogP3.17
Rot. Bonds2

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

2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 13322055) has the molecular formula C7H3Cl2F3O3S and a molecular weight of 295.07 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID13322055
Molecular FormulaC7H3Cl2F3O3S
Molecular Weight295.07 g/mol
Exact Mass293.91
IUPAC Name2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(OC(F)(F)F)ccc1Cl
InChIInChI=1S/C7H3Cl2F3O3S/c8-5-2-1-4(15-7(10,11)12)3-6(5)16(9,13)14/h1-3H
InChIKeyJGKVFWNIQYMJCN-UHFFFAOYSA-N
XLogP3.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.07
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride (CID 13322055) is 2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(OC(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is JGKVFWNIQYMJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3O3S/c8-5-2-1-4(15-7(10,11)12)3-6(5)16(9,13)14/h1-3H.
What are the key properties of 2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride?
2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 295.07 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 13322055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).