2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride

C7H2Br2ClF3O2S — CID 56604725

IUPAC2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(C(F)(F)F)c1Br
InChIInChI=1S/C7H2Br2ClF3O2S/c8-3-1-2-4(16(10,14)15)6(9)5(3)7(11,12)13/h1-2H
InChIKeyHYGRAMGVVQIGSN-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.16
Rot. Bonds1

About 2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride

2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 56604725) has the molecular formula C7H2Br2ClF3O2S and a molecular weight of 402.41 g/mol. Its IUPAC name is 2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID56604725
Molecular FormulaC7H2Br2ClF3O2S
Molecular Weight402.41 g/mol
Exact Mass399.78
IUPAC Name2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(C(F)(F)F)c1Br
InChIInChI=1S/C7H2Br2ClF3O2S/c8-3-1-2-4(16(10,14)15)6(9)5(3)7(11,12)13/h1-2H
InChIKeyHYGRAMGVVQIGSN-UHFFFAOYSA-N
XLogP4.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride (CID 56604725) is 2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)c(C(F)(F)F)c1Br.
What is the InChIKey of 2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is HYGRAMGVVQIGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2ClF3O2S/c8-3-1-2-4(16(10,14)15)6(9)5(3)7(11,12)13/h1-2H.
What are the key properties of 2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride?
2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 402.41 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 56604725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).