4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid

C7H3BrClFO4S — CID 43363036

IUPAC4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Cl)c(Br)cc1F
InChIInChI=1S/C7H3BrClFO4S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2H,(H,11,12)
InChIKeyZEXUPDYLDIWOLH-UHFFFAOYSA-N
MW317.52 g/mol
LogP2.21
Rot. Bonds2

About 4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid

4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid (PubChem CID 43363036) has the molecular formula C7H3BrClFO4S and a molecular weight of 317.52 g/mol. Its IUPAC name is 4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid
PubChem CID43363036
Molecular FormulaC7H3BrClFO4S
Molecular Weight317.52 g/mol
Exact Mass315.86
IUPAC Name4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Cl)c(Br)cc1F
InChIInChI=1S/C7H3BrClFO4S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2H,(H,11,12)
InChIKeyZEXUPDYLDIWOLH-UHFFFAOYSA-N
XLogP2.21
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid?
The IUPAC name of 4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid (CID 43363036) is 4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid.
What is the SMILES notation for 4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid?
The canonical SMILES for 4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid is O=C(O)c1cc(S(=O)(=O)Cl)c(Br)cc1F.
What is the InChIKey of 4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid?
The InChIKey is ZEXUPDYLDIWOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClFO4S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2H,(H,11,12).
What are the key properties of 4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid?
4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid has a molecular weight of 317.52 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chlorosulfonyl-2-fluorobenzoic acid is sourced from PubChem (CID 43363036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).