2,4-dibromo-5-fluorosulfonylbenzoic acid

C7H3Br2FO4S — CID 122236081

IUPAC2,4-dibromo-5-fluorosulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)F)c(Br)cc1Br
InChIInChI=1S/C7H3Br2FO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKeyPZFKLURMUQWGEP-UHFFFAOYSA-N
MW361.97 g/mol
LogP2.57
Rot. Bonds2

About 2,4-dibromo-5-fluorosulfonylbenzoic acid

2,4-dibromo-5-fluorosulfonylbenzoic acid (PubChem CID 122236081) has the molecular formula C7H3Br2FO4S and a molecular weight of 361.97 g/mol. Its IUPAC name is 2,4-dibromo-5-fluorosulfonylbenzoic acid.

Molecular Properties

Compound Name2,4-dibromo-5-fluorosulfonylbenzoic acid
PubChem CID122236081
Molecular FormulaC7H3Br2FO4S
Molecular Weight361.97 g/mol
Exact Mass359.81
IUPAC Name2,4-dibromo-5-fluorosulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)F)c(Br)cc1Br
InChIInChI=1S/C7H3Br2FO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKeyPZFKLURMUQWGEP-UHFFFAOYSA-N
XLogP2.57
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.97
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-fluorosulfonylbenzoic acid?
The IUPAC name of 2,4-dibromo-5-fluorosulfonylbenzoic acid (CID 122236081) is 2,4-dibromo-5-fluorosulfonylbenzoic acid.
What is the SMILES notation for 2,4-dibromo-5-fluorosulfonylbenzoic acid?
The canonical SMILES for 2,4-dibromo-5-fluorosulfonylbenzoic acid is O=C(O)c1cc(S(=O)(=O)F)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-fluorosulfonylbenzoic acid?
The InChIKey is PZFKLURMUQWGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2FO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12).
What are the key properties of 2,4-dibromo-5-fluorosulfonylbenzoic acid?
2,4-dibromo-5-fluorosulfonylbenzoic acid has a molecular weight of 361.97 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-fluorosulfonylbenzoic acid is sourced from PubChem (CID 122236081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).