4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride

C8H2BrClF6O2S — CID 134617575

IUPAC4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H2BrClF6O2S/c9-3-1-2-4(19(10,17)18)6(8(14,15)16)5(3)7(11,12)13/h1-2H
InChIKeyUAYWHOSUMVOBME-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.41
Rot. Bonds1

About 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride

4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 134617575) has the molecular formula C8H2BrClF6O2S and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride
PubChem CID134617575
Molecular FormulaC8H2BrClF6O2S
Molecular Weight391.51 g/mol
Exact Mass389.86
IUPAC Name4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H2BrClF6O2S/c9-3-1-2-4(19(10,17)18)6(8(14,15)16)5(3)7(11,12)13/h1-2H
InChIKeyUAYWHOSUMVOBME-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride (CID 134617575) is 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is UAYWHOSUMVOBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrClF6O2S/c9-3-1-2-4(19(10,17)18)6(8(14,15)16)5(3)7(11,12)13/h1-2H.
What are the key properties of 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride?
4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 391.51 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-bis(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 134617575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).