(3-bromo-5-chlorophenyl)methanesulfonyl fluoride

C7H5BrClFO2S — CID 165486117

IUPAC(3-bromo-5-chlorophenyl)methanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H5BrClFO2S/c8-6-1-5(2-7(9)3-6)4-13(10,11)12/h1-3H,4H2
InChIKeyLZVCNXGTYCHNQP-UHFFFAOYSA-N
MW287.54 g/mol
LogP2.90
Rot. Bonds2

About (3-bromo-5-chlorophenyl)methanesulfonyl fluoride

(3-bromo-5-chlorophenyl)methanesulfonyl fluoride (PubChem CID 165486117) has the molecular formula C7H5BrClFO2S and a molecular weight of 287.54 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)methanesulfonyl fluoride
PubChem CID165486117
Molecular FormulaC7H5BrClFO2S
Molecular Weight287.54 g/mol
Exact Mass285.89
IUPAC Name(3-bromo-5-chlorophenyl)methanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H5BrClFO2S/c8-6-1-5(2-7(9)3-6)4-13(10,11)12/h1-3H,4H2
InChIKeyLZVCNXGTYCHNQP-UHFFFAOYSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Bromo-4-chlorophenyl)methanesulfonyl chloride
CID 71683197
(2-Bromo-5-chlorophenyl)methanesulfonyl chloride
CID 66157488
(2-Bromo-5-chlorophenyl)methanesulfonamide
CID 66157489
(4-Bromo-2-chlorophenyl)methanesulfonyl chloride
CID 83748714
(4-Bromo-3-chlorophenyl)methanesulfonyl chloride
CID 83748716
(4-Bromo-2-chlorophenyl)methanesulfonamide
CID 112639838
(2-Bromo-6-chlorophenyl)methanesulfonyl chloride
CID 117488799
(2-Bromo-3-chlorophenyl)methanesulfonamide
CID 132316036
(4-Bromo-3-chlorophenyl)methanesulfonyl fluoride
CID 165519161
3-Bromo-3-(4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride
CID 162718605
1-(3-Bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide
CID 172570142
3-(3-Bromo-4-chlorophenyl)prop-2-ene-1-sulfonyl fluoride
CID 175187482

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)methanesulfonyl fluoride?
The IUPAC name of (3-bromo-5-chlorophenyl)methanesulfonyl fluoride (CID 165486117) is (3-bromo-5-chlorophenyl)methanesulfonyl fluoride.
What is the SMILES notation for (3-bromo-5-chlorophenyl)methanesulfonyl fluoride?
The canonical SMILES for (3-bromo-5-chlorophenyl)methanesulfonyl fluoride is O=S(=O)(F)Cc1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)methanesulfonyl fluoride?
The InChIKey is LZVCNXGTYCHNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO2S/c8-6-1-5(2-7(9)3-6)4-13(10,11)12/h1-3H,4H2.
What are the key properties of (3-bromo-5-chlorophenyl)methanesulfonyl fluoride?
(3-bromo-5-chlorophenyl)methanesulfonyl fluoride has a molecular weight of 287.54 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)methanesulfonyl fluoride is sourced from PubChem (CID 165486117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).