2-bromo-5-chlorosulfonylbenzoyl chloride

C7H3BrCl2O3S — CID 116739991

IUPAC2-bromo-5-chlorosulfonylbenzoyl chloride
SMILESO=C(Cl)c1cc(S(=O)(=O)Cl)ccc1Br
InChIInChI=1S/C7H3BrCl2O3S/c8-6-2-1-4(14(10,12)13)3-5(6)7(9)11/h1-3H
InChIKeyUDSBGFZNFXQNOQ-UHFFFAOYSA-N
MW317.98 g/mol
LogP2.76
Rot. Bonds2

About 2-bromo-5-chlorosulfonylbenzoyl chloride

2-bromo-5-chlorosulfonylbenzoyl chloride (PubChem CID 116739991) has the molecular formula C7H3BrCl2O3S and a molecular weight of 317.98 g/mol. Its IUPAC name is 2-bromo-5-chlorosulfonylbenzoyl chloride.

Molecular Properties

Compound Name2-bromo-5-chlorosulfonylbenzoyl chloride
PubChem CID116739991
Molecular FormulaC7H3BrCl2O3S
Molecular Weight317.98 g/mol
Exact Mass315.84
IUPAC Name2-bromo-5-chlorosulfonylbenzoyl chloride
SMILESO=C(Cl)c1cc(S(=O)(=O)Cl)ccc1Br
InChIInChI=1S/C7H3BrCl2O3S/c8-6-2-1-4(14(10,12)13)3-5(6)7(9)11/h1-3H
InChIKeyUDSBGFZNFXQNOQ-UHFFFAOYSA-N
XLogP2.76
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.98
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chlorosulfonylbenzoyl chloride?
The IUPAC name of 2-bromo-5-chlorosulfonylbenzoyl chloride (CID 116739991) is 2-bromo-5-chlorosulfonylbenzoyl chloride.
What is the SMILES notation for 2-bromo-5-chlorosulfonylbenzoyl chloride?
The canonical SMILES for 2-bromo-5-chlorosulfonylbenzoyl chloride is O=C(Cl)c1cc(S(=O)(=O)Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chlorosulfonylbenzoyl chloride?
The InChIKey is UDSBGFZNFXQNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl2O3S/c8-6-2-1-4(14(10,12)13)3-5(6)7(9)11/h1-3H.
What are the key properties of 2-bromo-5-chlorosulfonylbenzoyl chloride?
2-bromo-5-chlorosulfonylbenzoyl chloride has a molecular weight of 317.98 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chlorosulfonylbenzoyl chloride is sourced from PubChem (CID 116739991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).