cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate

C12H12ClFO4S — CID 65398298

IUPACcyclopentyl 3-chlorosulfonyl-5-fluorobenzoate
SMILESO=C(OC1CCCC1)c1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H12ClFO4S/c13-19(16,17)11-6-8(5-9(14)7-11)12(15)18-10-3-1-2-4-10/h5-7,10H,1-4H2
InChIKeyRZKQQUWYHMRCBT-UHFFFAOYSA-N
MW306.74 g/mol
LogP2.85
Rot. Bonds3

About cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate

cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate (PubChem CID 65398298) has the molecular formula C12H12ClFO4S and a molecular weight of 306.74 g/mol. Its IUPAC name is cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate.

Molecular Properties

Compound Namecyclopentyl 3-chlorosulfonyl-5-fluorobenzoate
PubChem CID65398298
Molecular FormulaC12H12ClFO4S
Molecular Weight306.74 g/mol
Exact Mass306.01
IUPAC Namecyclopentyl 3-chlorosulfonyl-5-fluorobenzoate
SMILESO=C(OC1CCCC1)c1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H12ClFO4S/c13-19(16,17)11-6-8(5-9(14)7-11)12(15)18-10-3-1-2-4-10/h5-7,10H,1-4H2
InChIKeyRZKQQUWYHMRCBT-UHFFFAOYSA-N
XLogP2.85
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dicyclohexyl 5-chlorosulfonylbenzene-1,3-dicarboxylate
CID 170992105
oxan-4-yl 3-chlorosulfonyl-5-fluorobenzoate
CID 65375874
(3-methylcyclohexyl) 3-chlorosulfonyl-5-fluorobenzoate
CID 65373933
cyclobutyl 3-chlorosulfonyl-5-(methoxymethyl)benzoate
CID 65375108
cyclobutyl 2-chloro-5-chlorosulfonyl-3-fluorobenzoate
CID 81454114
cyclopentyl 4-fluorobenzoate
CID 579482
cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953
cyclopentyl 5-chlorosulfonyl-2,3-dimethylbenzoate
CID 65396566
(3-methylcyclohexyl) 3-bromo-5-chlorosulfonylbenzoate
CID 65373350
cyclohexyl 3-chlorosulfonyl-5-fluoro-2-methylbenzoate
CID 65398293
cyclohexyl 5-chlorosulfonyl-2,3-dimethylbenzoate
CID 65395992
cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65396950

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate?
The IUPAC name of cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate (CID 65398298) is cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate.
What is the SMILES notation for cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate?
The canonical SMILES for cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate is O=C(OC1CCCC1)c1cc(F)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate?
The InChIKey is RZKQQUWYHMRCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO4S/c13-19(16,17)11-6-8(5-9(14)7-11)12(15)18-10-3-1-2-4-10/h5-7,10H,1-4H2.
What are the key properties of cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate?
cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate has a molecular weight of 306.74 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate is sourced from PubChem (CID 65398298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).