oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate

C13H15ClO6S — CID 65373557

IUPACoxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC2CCOC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H15ClO6S/c1-18-11-3-2-10(6-12(11)21(14,16)17)13(15)20-8-9-4-5-19-7-9/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyWPPHHLYESFZJBS-UHFFFAOYSA-N
MW334.78 g/mol
LogP1.82
Rot. Bonds5

About oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate

oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate (PubChem CID 65373557) has the molecular formula C13H15ClO6S and a molecular weight of 334.78 g/mol. Its IUPAC name is oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate
PubChem CID65373557
Molecular FormulaC13H15ClO6S
Molecular Weight334.78 g/mol
Exact Mass334.03
IUPAC Nameoxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC2CCOC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H15ClO6S/c1-18-11-3-2-10(6-12(11)21(14,16)17)13(15)20-8-9-4-5-19-7-9/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyWPPHHLYESFZJBS-UHFFFAOYSA-N
XLogP1.82
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

oxolan-3-ylmethyl 3,4-dichloro-5-chlorosulfonylbenzoate
CID 65375100
oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate
CID 65380082
cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate
CID 65382037
oxolan-3-ylmethyl 5-chlorosulfonyl-2,4-dimethylbenzoate
CID 65375489
oxolan-3-ylmethyl 3-chlorosulfonyl-5-methylbenzoate
CID 65374139
methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
CID 117053362
oxan-4-ylmethyl 4-amino-3-methoxybenzoate
CID 104783939
oxolan-3-ylmethyl 3-amino-4-hydroxybenzoate
CID 107265591
[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
CID 20530766
oxolan-3-ylmethyl 4-amino-5-chloro-2-methoxybenzoate
CID 61238863
oxolan-3-ylmethyl 2-bromo-5-chlorosulfonyl-4-fluorobenzoate
CID 65373752
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate?
The IUPAC name of oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate (CID 65373557) is oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate.
What is the SMILES notation for oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate?
The canonical SMILES for oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate is COc1ccc(C(=O)OCC2CCOC2)cc1S(=O)(=O)Cl.
What is the InChIKey of oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate?
The InChIKey is WPPHHLYESFZJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO6S/c1-18-11-3-2-10(6-12(11)21(14,16)17)13(15)20-8-9-4-5-19-7-9/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate?
oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate has a molecular weight of 334.78 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate is sourced from PubChem (CID 65373557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).