5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid

C7H3BrClFO4S — CID 16776626

IUPAC5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H3BrClFO4S/c8-3-1-4(7(11)12)6(10)5(2-3)15(9,13)14/h1-2H,(H,11,12)
InChIKeyQGJIUWUCSFPGTB-UHFFFAOYSA-N
MW317.52 g/mol
LogP2.21
Rot. Bonds2

About 5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid

5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid (PubChem CID 16776626) has the molecular formula C7H3BrClFO4S and a molecular weight of 317.52 g/mol. Its IUPAC name is 5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid
PubChem CID16776626
Molecular FormulaC7H3BrClFO4S
Molecular Weight317.52 g/mol
Exact Mass315.86
IUPAC Name5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H3BrClFO4S/c8-3-1-4(7(11)12)6(10)5(2-3)15(9,13)14/h1-2H,(H,11,12)
InChIKeyQGJIUWUCSFPGTB-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 5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid?
The IUPAC name of 5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid (CID 16776626) is 5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid.
What is the SMILES notation for 5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid?
The canonical SMILES for 5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid is O=C(O)c1cc(Br)cc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid?
The InChIKey is QGJIUWUCSFPGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClFO4S/c8-3-1-4(7(11)12)6(10)5(2-3)15(9,13)14/h1-2H,(H,11,12).
What are the key properties of 5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid?
5-bromo-3-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 5-bromo-3-chlorosulfonyl-2-fluorobenzoic acid is sourced from PubChem (CID 16776626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).