2,5-dibromo-3-chlorosulfonylbenzoic acid

C7H3Br2ClO4S — CID 114356378

IUPAC2,5-dibromo-3-chlorosulfonylbenzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)Cl)c1Br
InChIInChI=1S/C7H3Br2ClO4S/c8-3-1-4(7(11)12)6(9)5(2-3)15(10,13)14/h1-2H,(H,11,12)
InChIKeyQLYNLXKTNIZAPR-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.84
Rot. Bonds2

About 2,5-dibromo-3-chlorosulfonylbenzoic acid

2,5-dibromo-3-chlorosulfonylbenzoic acid (PubChem CID 114356378) has the molecular formula C7H3Br2ClO4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 2,5-dibromo-3-chlorosulfonylbenzoic acid.

Molecular Properties

Compound Name2,5-dibromo-3-chlorosulfonylbenzoic acid
PubChem CID114356378
Molecular FormulaC7H3Br2ClO4S
Molecular Weight378.43 g/mol
Exact Mass375.78
IUPAC Name2,5-dibromo-3-chlorosulfonylbenzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)Cl)c1Br
InChIInChI=1S/C7H3Br2ClO4S/c8-3-1-4(7(11)12)6(9)5(2-3)15(10,13)14/h1-2H,(H,11,12)
InChIKeyQLYNLXKTNIZAPR-UHFFFAOYSA-N
XLogP2.84
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromobenzene-1,3-dicarboxylic acid
CID 22572011
2,5-dibromo-3-methylbenzoic acid
CID 11850381
5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65367050
3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid
CID 13026920
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonyl chloride
CID 65368024
1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
CID 45156700
5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride
CID 65368879
5-bromo-2-methyl-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368840
5-chlorosulfonyl-2,4-dimethoxybenzoic acid
CID 16771362
2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65366904
2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367980
4-bromo-5-chlorosulfonyl-2-nitrobenzoic acid
CID 22101406

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-chlorosulfonylbenzoic acid?
The IUPAC name of 2,5-dibromo-3-chlorosulfonylbenzoic acid (CID 114356378) is 2,5-dibromo-3-chlorosulfonylbenzoic acid.
What is the SMILES notation for 2,5-dibromo-3-chlorosulfonylbenzoic acid?
The canonical SMILES for 2,5-dibromo-3-chlorosulfonylbenzoic acid is O=C(O)c1cc(Br)cc(S(=O)(=O)Cl)c1Br.
What is the InChIKey of 2,5-dibromo-3-chlorosulfonylbenzoic acid?
The InChIKey is QLYNLXKTNIZAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2ClO4S/c8-3-1-4(7(11)12)6(9)5(2-3)15(10,13)14/h1-2H,(H,11,12).
What are the key properties of 2,5-dibromo-3-chlorosulfonylbenzoic acid?
2,5-dibromo-3-chlorosulfonylbenzoic acid has a molecular weight of 378.43 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-chlorosulfonylbenzoic acid is sourced from PubChem (CID 114356378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).