4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride

C7H2BrClFNO2S — CID 118811932

IUPAC4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride
SMILESN#Cc1cc(Br)cc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2BrClFNO2S/c8-5-1-4(3-11)7(6(10)2-5)14(9,12)13/h1-2H
InChIKeyQXCRSESDTCODQH-UHFFFAOYSA-N
MW298.52 g/mol
LogP2.39
Rot. Bonds1

About 4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride

4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride (PubChem CID 118811932) has the molecular formula C7H2BrClFNO2S and a molecular weight of 298.52 g/mol. Its IUPAC name is 4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride
PubChem CID118811932
Molecular FormulaC7H2BrClFNO2S
Molecular Weight298.52 g/mol
Exact Mass296.87
IUPAC Name4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride
SMILESN#Cc1cc(Br)cc(F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2BrClFNO2S/c8-5-1-4(3-11)7(6(10)2-5)14(9,12)13/h1-2H
InChIKeyQXCRSESDTCODQH-UHFFFAOYSA-N
XLogP2.39
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride (CID 118811932) is 4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride is N#Cc1cc(Br)cc(F)c1S(=O)(=O)Cl.
What is the InChIKey of 4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride?
The InChIKey is QXCRSESDTCODQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClFNO2S/c8-5-1-4(3-11)7(6(10)2-5)14(9,12)13/h1-2H.
What are the key properties of 4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride?
4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride has a molecular weight of 298.52 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyano-6-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 118811932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).