oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate

C11H10Cl2O5S — CID 65374535

IUPACoxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate
SMILESO=C(OC1CCOC1)c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H10Cl2O5S/c12-9-2-1-7(5-10(9)19(13,15)16)11(14)18-8-3-4-17-6-8/h1-2,5,8H,3-4,6H2
InChIKeyRJCUGCMLIYPUBW-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.21
Rot. Bonds3

About oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate

oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate (PubChem CID 65374535) has the molecular formula C11H10Cl2O5S and a molecular weight of 325.17 g/mol. Its IUPAC name is oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate.

Molecular Properties

Compound Nameoxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate
PubChem CID65374535
Molecular FormulaC11H10Cl2O5S
Molecular Weight325.17 g/mol
Exact Mass323.96
IUPAC Nameoxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate
SMILESO=C(OC1CCOC1)c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H10Cl2O5S/c12-9-2-1-7(5-10(9)19(13,15)16)11(14)18-8-3-4-17-6-8/h1-2,5,8H,3-4,6H2
InChIKeyRJCUGCMLIYPUBW-UHFFFAOYSA-N
XLogP2.21
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
CID 65375309
[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076
oxolan-3-yl 3,4-dimethylbenzoate
CID 130399833
oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65376083
cyclopentyl 4-chloro-3-sulfamoylbenzoate
CID 65379832
oxolan-3-yl 4-aminobenzoate
CID 63558656
oxolan-3-yl 4-fluorobenzoate
CID 63663417
methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846
oxan-4-yl 4-chloro-3-methoxybenzoate
CID 75496715
oxan-4-yl 2-chloro-5-chlorosulfonylbenzoate
CID 65374517
[(3R)-oxolan-3-yl] 2-chlorobenzoate
CID 95615058
2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride
CID 63557749

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate?
The IUPAC name of oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate (CID 65374535) is oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate.
What is the SMILES notation for oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate?
The canonical SMILES for oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate is O=C(OC1CCOC1)c1ccc(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate?
The InChIKey is RJCUGCMLIYPUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O5S/c12-9-2-1-7(5-10(9)19(13,15)16)11(14)18-8-3-4-17-6-8/h1-2,5,8H,3-4,6H2.
What are the key properties of oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate?
oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate has a molecular weight of 325.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate is sourced from PubChem (CID 65374535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).