oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate

C13H15ClO6S — CID 65375309

IUPACoxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OC2CCOC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H15ClO6S/c1-18-7-10-3-2-9(6-12(10)21(14,16)17)13(15)20-11-4-5-19-8-11/h2-3,6,11H,4-5,7-8H2,1H3
InChIKeyXBCXNWBOCJASMN-UHFFFAOYSA-N
MW334.78 g/mol
LogP1.71
Rot. Bonds5

About oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate

oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate (PubChem CID 65375309) has the molecular formula C13H15ClO6S and a molecular weight of 334.78 g/mol. Its IUPAC name is oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate.

Molecular Properties

Compound Nameoxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
PubChem CID65375309
Molecular FormulaC13H15ClO6S
Molecular Weight334.78 g/mol
Exact Mass334.03
IUPAC Nameoxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OC2CCOC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H15ClO6S/c1-18-7-10-3-2-9(6-12(10)21(14,16)17)13(15)20-11-4-5-19-8-11/h2-3,6,11H,4-5,7-8H2,1H3
InChIKeyXBCXNWBOCJASMN-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate
CID 65374535
cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate
CID 65397532
oxolan-3-yl 3,4-dimethylbenzoate
CID 130399833
1-methoxypropan-2-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
CID 65374161
butyl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
CID 65395963
5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65370930
oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65376083
oxolan-3-yl 4-fluorobenzoate
CID 63663417
[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076
oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate
CID 65373557
oxan-4-yl 4-bromo-3-chlorosulfonyl-5-fluorobenzoate
CID 65375485
cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate?
The IUPAC name of oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate (CID 65375309) is oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate.
What is the SMILES notation for oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate?
The canonical SMILES for oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate is COCc1ccc(C(=O)OC2CCOC2)cc1S(=O)(=O)Cl.
What is the InChIKey of oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate?
The InChIKey is XBCXNWBOCJASMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO6S/c1-18-7-10-3-2-9(6-12(10)21(14,16)17)13(15)20-11-4-5-19-8-11/h2-3,6,11H,4-5,7-8H2,1H3.
What are the key properties of oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate?
oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate has a molecular weight of 334.78 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate is sourced from PubChem (CID 65375309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).