cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate

C12H11ClF2O4S — CID 65396950

IUPACcyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate
SMILESO=C(OC1CCCC1)c1cc(S(=O)(=O)Cl)c(F)cc1F
InChIInChI=1S/C12H11ClF2O4S/c13-20(17,18)11-5-8(9(14)6-10(11)15)12(16)19-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyFFJYQRMWJCZUBO-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.99
Rot. Bonds3

About cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate

cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate (PubChem CID 65396950) has the molecular formula C12H11ClF2O4S and a molecular weight of 324.73 g/mol. Its IUPAC name is cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate.

Molecular Properties

Compound Namecyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate
PubChem CID65396950
Molecular FormulaC12H11ClF2O4S
Molecular Weight324.73 g/mol
Exact Mass324.00
IUPAC Namecyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate
SMILESO=C(OC1CCCC1)c1cc(S(=O)(=O)Cl)c(F)cc1F
InChIInChI=1S/C12H11ClF2O4S/c13-20(17,18)11-5-8(9(14)6-10(11)15)12(16)19-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyFFJYQRMWJCZUBO-UHFFFAOYSA-N
XLogP2.99
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65373948
cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate
CID 65398488
cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953
cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65398297
cyclohexyl 3-chlorosulfonyl-5-fluoro-2-methylbenzoate
CID 65398293
cyclobutyl 2-chloro-5-chlorosulfonyl-3-fluorobenzoate
CID 81454114
cyclobutyl 3-chlorosulfonyl-2-fluoro-5-nitrobenzoate
CID 65373364
2-methylpropyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65397926
cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate
CID 65398298
cyclohexyl 2-fluoro-5-methylbenzoate
CID 62947219
(4-methylcyclohexyl) 3-chlorosulfonyl-4-fluorobenzoate
CID 65397537
methyl 5-chlorosulfonyl-4-cyclopropyl-2-fluorobenzoate
CID 167444882

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate?
The IUPAC name of cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate (CID 65396950) is cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate.
What is the SMILES notation for cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate?
The canonical SMILES for cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate is O=C(OC1CCCC1)c1cc(S(=O)(=O)Cl)c(F)cc1F.
What is the InChIKey of cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate?
The InChIKey is FFJYQRMWJCZUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2O4S/c13-20(17,18)11-5-8(9(14)6-10(11)15)12(16)19-7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate?
cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate has a molecular weight of 324.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate is sourced from PubChem (CID 65396950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).