4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride

C12H7BrClFO2S — CID 2756979

IUPAC4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccc(Br)cc2F)cc1
InChIInChI=1S/C12H7BrClFO2S/c13-9-3-6-11(12(15)7-9)8-1-4-10(5-2-8)18(14,16)17/h1-7H
InChIKeyHZKQJZCTZXUPIA-UHFFFAOYSA-N
MW349.61 g/mol
LogP4.18
Rot. Bonds2

About 4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride

4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride (PubChem CID 2756979) has the molecular formula C12H7BrClFO2S and a molecular weight of 349.61 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride
PubChem CID2756979
Molecular FormulaC12H7BrClFO2S
Molecular Weight349.61 g/mol
Exact Mass347.90
IUPAC Name4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccc(Br)cc2F)cc1
InChIInChI=1S/C12H7BrClFO2S/c13-9-3-6-11(12(15)7-9)8-1-4-10(5-2-8)18(14,16)17/h1-7H
InChIKeyHZKQJZCTZXUPIA-UHFFFAOYSA-N
XLogP4.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride (CID 2756979) is 4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride?
The InChIKey is HZKQJZCTZXUPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFO2S/c13-9-3-6-11(12(15)7-9)8-1-4-10(5-2-8)18(14,16)17/h1-7H.
What are the key properties of 4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride?
4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride has a molecular weight of 349.61 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)benzenesulfonyl chloride is sourced from PubChem (CID 2756979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).