cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate

C12H11ClF2O4S — CID 65398297

IUPACcyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate
SMILESO=C(OC1CCCC1)c1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C12H11ClF2O4S/c13-20(17,18)9-6-5-8(14)10(11(9)15)12(16)19-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyRTWOVMWYUQLKBC-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.99
Rot. Bonds3

About cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate

cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate (PubChem CID 65398297) has the molecular formula C12H11ClF2O4S and a molecular weight of 324.73 g/mol. Its IUPAC name is cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate.

Molecular Properties

Compound Namecyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate
PubChem CID65398297
Molecular FormulaC12H11ClF2O4S
Molecular Weight324.73 g/mol
Exact Mass324.00
IUPAC Namecyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate
SMILESO=C(OC1CCCC1)c1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C12H11ClF2O4S/c13-20(17,18)9-6-5-8(14)10(11(9)15)12(16)19-7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyRTWOVMWYUQLKBC-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

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Related Compounds

oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65376083
cyclopentyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65396950
2-cyclopropylethyl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 106206902
cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953
cyclobutyl 2,6-dichloro-3-chlorosulfonylbenzoate
CID 65374146
3-chlorosulfonyl-2,6-difluorobenzoic acid
CID 3304796
2-methoxyethyl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65373920
cyclopentyl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate
CID 65398488
oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate
CID 65380294
cyclobutyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65373948
cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate
CID 65398298
1-methoxypropan-2-yl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65375121

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate?
The IUPAC name of cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate (CID 65398297) is cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate.
What is the SMILES notation for cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate?
The canonical SMILES for cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate is O=C(OC1CCCC1)c1c(F)ccc(S(=O)(=O)Cl)c1F.
What is the InChIKey of cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate?
The InChIKey is RTWOVMWYUQLKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2O4S/c13-20(17,18)9-6-5-8(14)10(11(9)15)12(16)19-7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of cyclopentyl 3-chlorosulfonyl-2,6-difluorobenzoate?
cyclopentyl 3-chlorosulfonyl-2,6-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 3-chlorosulfonyl-2,6-difluorobenzoate is sourced from PubChem (CID 65398297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).