3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride

C7H2BrCl2F3O2S — CID 146676147

IUPAC3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cc(Br)c1Cl
InChIInChI=1S/C7H2BrCl2F3O2S/c8-4-1-3(7(11,12)13)2-5(6(4)9)16(10,14)15/h1-2H
InChIKeyZIHRLXSUGHBDFQ-UHFFFAOYSA-N
MW357.96 g/mol
LogP4.05
Rot. Bonds1

About 3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride

3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 146676147) has the molecular formula C7H2BrCl2F3O2S and a molecular weight of 357.96 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID146676147
Molecular FormulaC7H2BrCl2F3O2S
Molecular Weight357.96 g/mol
Exact Mass355.83
IUPAC Name3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cc(Br)c1Cl
InChIInChI=1S/C7H2BrCl2F3O2S/c8-4-1-3(7(11,12)13)2-5(6(4)9)16(10,14)15/h1-2H
InChIKeyZIHRLXSUGHBDFQ-UHFFFAOYSA-N
XLogP4.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.96
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride (CID 146676147) is 3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)(F)F)cc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is ZIHRLXSUGHBDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2F3O2S/c8-4-1-3(7(11,12)13)2-5(6(4)9)16(10,14)15/h1-2H.
What are the key properties of 3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride?
3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 357.96 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 146676147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).