oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate

C14H19NO5S — CID 4154262

IUPACoxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC2CCCO2)cc1
InChIInChI=1S/C14H19NO5S/c1-15(2)21(17,18)13-7-5-11(6-8-13)14(16)20-10-12-4-3-9-19-12/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyKWBZAWBKBJHSBU-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.27
Rot. Bonds5

About oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate

oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 4154262) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate
PubChem CID4154262
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Nameoxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCC2CCCO2)cc1
InChIInChI=1S/C14H19NO5S/c1-15(2)21(17,18)13-7-5-11(6-8-13)14(16)20-10-12-4-3-9-19-12/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyKWBZAWBKBJHSBU-UHFFFAOYSA-N
XLogP1.27
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate (CID 4154262) is oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCC2CCCO2)cc1.
What is the InChIKey of oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is KWBZAWBKBJHSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-15(2)21(17,18)13-7-5-11(6-8-13)14(16)20-10-12-4-3-9-19-12/h5-8,12H,3-4,9-10H2,1-2H3.
What are the key properties of oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate?
oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate has a molecular weight of 313.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 4154262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).