[(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate

C14H16Cl2O6S — CID 88611367

IUPAC[(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate
SMILESCC(OS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC[C@@H]1CCCO1
InChIInChI=1S/C14H16Cl2O6S/c1-9(14(17)21-8-11-3-2-6-20-11)22-23(18,19)13-7-10(15)4-5-12(13)16/h4-5,7,9,11H,2-3,6,8H2,1H3/t9?,11-/m0/s1
InChIKeyAMXHZUVPXLODKE-UMJHXOGRSA-N
MW383.25 g/mol
LogP2.81
Rot. Bonds6

About [(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate

[(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate (PubChem CID 88611367) has the molecular formula C14H16Cl2O6S and a molecular weight of 383.25 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate
PubChem CID88611367
Molecular FormulaC14H16Cl2O6S
Molecular Weight383.25 g/mol
Exact Mass382.00
IUPAC Name[(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate
SMILESCC(OS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC[C@@H]1CCCO1
InChIInChI=1S/C14H16Cl2O6S/c1-9(14(17)21-8-11-3-2-6-20-11)22-23(18,19)13-7-10(15)4-5-12(13)16/h4-5,7,9,11H,2-3,6,8H2,1H3/t9?,11-/m0/s1
InChIKeyAMXHZUVPXLODKE-UMJHXOGRSA-N
XLogP2.81
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-oxolan-2-yl]methyl 2-(2,4,5-trichlorophenyl)sulfonyloxypropanoate
CID 88611400
oxolan-2-ylmethyl (2S)-2-(4-chloro-3-nitrophenyl)sulfonyloxypropanoate
CID 88611405
oxolan-2-ylmethyl (2S)-2-(4-bromophenyl)sulfonyloxypropanoate
CID 88611403
oxolan-2-ylmethyl (2S)-2-(4-nitrophenyl)sulfonyloxypropanoate
CID 88611397
[(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate
CID 88611358
oxolan-2-ylmethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 42915424
[(2S)-oxolan-2-yl]methyl 4-chloro-3-sulfamoylbenzoate
CID 39902965
1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one
CID 43798313
[(2R)-oxolan-2-yl]methyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54271602
2-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]sulfonylamino]propanoic acid
CID 122068155
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate (CID 88611367) is [(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate is CC(OS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate?
The InChIKey is AMXHZUVPXLODKE-UMJHXOGRSA-N. The full InChI is InChI=1S/C14H16Cl2O6S/c1-9(14(17)21-8-11-3-2-6-20-11)22-23(18,19)13-7-10(15)4-5-12(13)16/h4-5,7,9,11H,2-3,6,8H2,1H3/t9?,11-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate?
[(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate has a molecular weight of 383.25 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate is sourced from PubChem (CID 88611367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).