[(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate

C19H19NO6S — CID 8819135

IUPAC[(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@H]2CCOC2=O)c1
InChIInChI=1S/C19H19NO6S/c1-2-20(15-8-4-3-5-9-15)27(23,24)16-10-6-7-14(13-16)18(21)26-17-11-12-25-19(17)22/h3-10,13,17H,2,11-12H2,1H3/t17-/m0/s1
InChIKeyKUZAJPLGYGPXED-KRWDZBQOSA-N
MW389.43 g/mol
LogP2.37
Rot. Bonds6

About [(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate

[(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate (PubChem CID 8819135) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate
PubChem CID8819135
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name[(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@H]2CCOC2=O)c1
InChIInChI=1S/C19H19NO6S/c1-2-20(15-8-4-3-5-9-15)27(23,24)16-10-6-7-14(13-16)18(21)26-17-11-12-25-19(17)22/h3-10,13,17H,2,11-12H2,1H3/t17-/m0/s1
InChIKeyKUZAJPLGYGPXED-KRWDZBQOSA-N
XLogP2.37
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)benzoate
CID 8763209
3-(2-oxooxolan-3-yl)oxycarbonylbenzenesulfonic acid
CID 90246272
[2-(cyclopropylamino)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579762
(2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 4794362
[(3R)-2-oxooxolan-3-yl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 2509169
[(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2678270
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530671
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 18073914
methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
CID 55572752
[(3R)-2-oxooxolan-3-yl] 3-[(3-chlorophenyl)sulfamoyl]benzoate
CID 2463256
(2-oxooxolan-3-yl) 3-[(3-chlorophenyl)sulfamoyl]benzoate
CID 3903758
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530659

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate (CID 8819135) is [(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O[C@H]2CCOC2=O)c1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate?
The InChIKey is KUZAJPLGYGPXED-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO6S/c1-2-20(15-8-4-3-5-9-15)27(23,24)16-10-6-7-14(13-16)18(21)26-17-11-12-25-19(17)22/h3-10,13,17H,2,11-12H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate?
[(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate has a molecular weight of 389.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 8819135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).