cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate

C12H11BrClFO4S — CID 65398488

IUPACcyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate
SMILESO=C(OC1CCCC1)c1cc(Br)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C12H11BrClFO4S/c13-7-5-9(11(15)10(6-7)20(14,17)18)12(16)19-8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeyADSQFGZHGKTJSB-UHFFFAOYSA-N
MW385.64 g/mol
LogP3.62
Rot. Bonds3

About cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate

cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate (PubChem CID 65398488) has the molecular formula C12H11BrClFO4S and a molecular weight of 385.64 g/mol. Its IUPAC name is cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate.

Molecular Properties

Compound Namecyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate
PubChem CID65398488
Molecular FormulaC12H11BrClFO4S
Molecular Weight385.64 g/mol
Exact Mass383.92
IUPAC Namecyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate
SMILESO=C(OC1CCCC1)c1cc(Br)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C12H11BrClFO4S/c13-7-5-9(11(15)10(6-7)20(14,17)18)12(16)19-8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeyADSQFGZHGKTJSB-UHFFFAOYSA-N
XLogP3.62
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.64
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-yl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate
CID 65376066
cyclobutyl 3-chlorosulfonyl-2-fluoro-5-nitrobenzoate
CID 65373364
cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65396950
cyclohexyl 3-chlorosulfonyl-5-fluoro-2-methylbenzoate
CID 65398293
cyclobutyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65373948
5-bromo-2-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65367050
3-(azepane-1-carbonyl)-5-bromo-2-fluorobenzenesulfonyl chloride
CID 65368024
cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65398297
cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953
5-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]-2-fluorobenzenesulfonyl chloride
CID 65396485
4-methylpentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate
CID 65376051
cyclopentylmethyl 3-chlorosulfonyl-2,5-difluorobenzoate
CID 66322090

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate?
The IUPAC name of cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate (CID 65398488) is cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate.
What is the SMILES notation for cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate?
The canonical SMILES for cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate is O=C(OC1CCCC1)c1cc(Br)cc(S(=O)(=O)Cl)c1F.
What is the InChIKey of cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate?
The InChIKey is ADSQFGZHGKTJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFO4S/c13-7-5-9(11(15)10(6-7)20(14,17)18)12(16)19-8-3-1-2-4-8/h5-6,8H,1-4H2.
What are the key properties of cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate?
cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate has a molecular weight of 385.64 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate is sourced from PubChem (CID 65398488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).