oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate

C12H11Cl3O5S — CID 65375100

IUPACoxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate
SMILESO=C(OCC1CCOC1)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H11Cl3O5S/c13-9-3-8(4-10(11(9)14)21(15,17)18)12(16)20-6-7-1-2-19-5-7/h3-4,7H,1-2,5-6H2
InChIKeyRJOBWTNBEWSXJM-UHFFFAOYSA-N
MW373.64 g/mol
LogP3.11
Rot. Bonds4

About oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate

oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate (PubChem CID 65375100) has the molecular formula C12H11Cl3O5S and a molecular weight of 373.64 g/mol. Its IUPAC name is oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate
PubChem CID65375100
Molecular FormulaC12H11Cl3O5S
Molecular Weight373.64 g/mol
Exact Mass371.94
IUPAC Nameoxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate
SMILESO=C(OCC1CCOC1)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H11Cl3O5S/c13-9-3-8(4-10(11(9)14)21(15,17)18)12(16)20-6-7-1-2-19-5-7/h3-4,7H,1-2,5-6H2
InChIKeyRJOBWTNBEWSXJM-UHFFFAOYSA-N
XLogP3.11
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.64
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate
CID 65373557
oxolan-3-ylmethyl 3-chlorosulfonyl-5-methylbenzoate
CID 65374139
oxolan-3-ylmethyl 5-chlorosulfonyl-2,4-dimethylbenzoate
CID 65375489
cyclopropylmethyl 4-chloro-3-chlorosulfonyl-5-nitrobenzoate
CID 65396942
oxolan-3-ylmethyl 3-chloro-5-chlorosulfonyl-2-methylbenzoate
CID 107100831
oxolan-3-ylmethyl 2-bromo-5-chlorosulfonyl-4-fluorobenzoate
CID 65373752
oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate
CID 65380082
oxolan-3-ylmethyl 3-amino-4-hydroxybenzoate
CID 107265591
oxolan-3-ylmethyl 2-bromo-5-sulfamoylbenzoate
CID 61237488
2-propan-2-yloxyethyl 3,4-dichloro-5-chlorosulfonylbenzoate
CID 65374490
oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate
CID 65374535
cyclopentylmethyl 4-bromo-3-chloro-5-sulfamoylbenzoate
CID 81292391

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate?
The IUPAC name of oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate (CID 65375100) is oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate.
What is the SMILES notation for oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate?
The canonical SMILES for oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate is O=C(OCC1CCOC1)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate?
The InChIKey is RJOBWTNBEWSXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3O5S/c13-9-3-8(4-10(11(9)14)21(15,17)18)12(16)20-6-7-1-2-19-5-7/h3-4,7H,1-2,5-6H2.
What are the key properties of oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate?
oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate has a molecular weight of 373.64 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate is sourced from PubChem (CID 65375100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).