cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate

C11H10ClFO4S — CID 65373953

IUPACcyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
SMILESO=C(OC1CCC1)c1ccc(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H10ClFO4S/c12-18(15,16)10-6-7(4-5-9(10)13)11(14)17-8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyWBRZSJQNWNSIHB-UHFFFAOYSA-N
MW292.71 g/mol
LogP2.46
Rot. Bonds3

About cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate

cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate (PubChem CID 65373953) has the molecular formula C11H10ClFO4S and a molecular weight of 292.71 g/mol. Its IUPAC name is cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate.

Molecular Properties

Compound Namecyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
PubChem CID65373953
Molecular FormulaC11H10ClFO4S
Molecular Weight292.71 g/mol
Exact Mass292.00
IUPAC Namecyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
SMILESO=C(OC1CCC1)c1ccc(F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H10ClFO4S/c12-18(15,16)10-6-7(4-5-9(10)13)11(14)17-8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyWBRZSJQNWNSIHB-UHFFFAOYSA-N
XLogP2.46
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylcyclohexyl) 3-chlorosulfonyl-4-fluorobenzoate
CID 65397537
cyclobutyl 3,4-difluorobenzoate
CID 174934695
cyclobutyl 3-chlorosulfonyl-4-(dimethylamino)benzoate
CID 65375300
cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate
CID 52651787
cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate
CID 65397532
cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 55335058
chlorosulfonyl 3-chlorosulfonyl-4-fluorobenzoate
CID 90980810
cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65396950
cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65398297
cyclobutyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65373948
cyclopentyl 3-amino-4-fluorobenzoate
CID 61279217
cyclopentyl 4-chloro-3-sulfamoylbenzoate
CID 65379832

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate?
The IUPAC name of cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate (CID 65373953) is cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate.
What is the SMILES notation for cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate?
The canonical SMILES for cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate is O=C(OC1CCC1)c1ccc(F)c(S(=O)(=O)Cl)c1.
What is the InChIKey of cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate?
The InChIKey is WBRZSJQNWNSIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO4S/c12-18(15,16)10-6-7(4-5-9(10)13)11(14)17-8-2-1-3-8/h4-6,8H,1-3H2.
What are the key properties of cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate?
cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate has a molecular weight of 292.71 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate is sourced from PubChem (CID 65373953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).