[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate

C14H19NO5S — CID 2375035

IUPAC[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCCO2)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/t12-/m1/s1
InChIKeyKWBZAWBKBJHSBU-GFCCVEGCSA-N
MW313.38 g/mol
LogP1.27
Rot. Bonds5

About [(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate

[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 2375035) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
PubChem CID2375035
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCCO2)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/t12-/m1/s1
InChIKeyKWBZAWBKBJHSBU-GFCCVEGCSA-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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Related Compounds

4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
[(2R)-oxolan-2-yl]methyl 4-nitrobenzoate
CID 36688887
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxolan-2-ylmethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 24518652
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55730623
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
2-[4-(dimethylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 27261642
[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 4544453
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
[(2S)-oxolan-2-yl]methyl 4-chloro-3-sulfamoylbenzoate
CID 39902965
oxan-2-ylmethyl 4-methyl-3-sulfamoylbenzoate
CID 60730484

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate (CID 2375035) is [(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCCO2)cc1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is KWBZAWBKBJHSBU-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate?
[(2R)-oxolan-2-yl]methyl 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 [(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2375035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).