oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate

C14H17ClO5S — CID 65376038

IUPACoxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)Cl)cc1)OCC1CCCO1
InChIInChI=1S/C14H17ClO5S/c15-21(17,18)13-6-3-11(4-7-13)5-8-14(16)20-10-12-2-1-9-19-12/h3-4,6-7,12H,1-2,5,8-10H2
InChIKeyYCGDWEQZMKYPMU-UHFFFAOYSA-N
MW332.81 g/mol
LogP2.27
Rot. Bonds6

About oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate

oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate (PubChem CID 65376038) has the molecular formula C14H17ClO5S and a molecular weight of 332.81 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate
PubChem CID65376038
Molecular FormulaC14H17ClO5S
Molecular Weight332.81 g/mol
Exact Mass332.05
IUPAC Nameoxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)Cl)cc1)OCC1CCCO1
InChIInChI=1S/C14H17ClO5S/c15-21(17,18)13-6-3-11(4-7-13)5-8-14(16)20-10-12-2-1-9-19-12/h3-4,6-7,12H,1-2,5,8-10H2
InChIKeyYCGDWEQZMKYPMU-UHFFFAOYSA-N
XLogP2.27
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentylmethyl 3-(4-chlorosulfonylphenyl)propanoate
CID 66323165
oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
CID 78833188
[(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
CID 129404823
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61308131
[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2375035
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653429
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
[(2S)-oxolan-2-yl]methyl 5-(4-chloroanilino)-5-oxopentanoate
CID 7791264

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate?
The IUPAC name of oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate (CID 65376038) is oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate.
What is the SMILES notation for oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate?
The canonical SMILES for oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate is O=C(CCc1ccc(S(=O)(=O)Cl)cc1)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate?
The InChIKey is YCGDWEQZMKYPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO5S/c15-21(17,18)13-6-3-11(4-7-13)5-8-14(16)20-10-12-2-1-9-19-12/h3-4,6-7,12H,1-2,5,8-10H2.
What are the key properties of oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate?
oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate has a molecular weight of 332.81 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate is sourced from PubChem (CID 65376038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).