[(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate

C14H17NO7S — CID 51928625

IUPAC[(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCOC2=O)cc1
InChIInChI=1S/C14H17NO7S/c1-20-9-7-15-23(18,19)11-4-2-10(3-5-11)13(16)22-12-6-8-21-14(12)17/h2-5,12,15H,6-9H2,1H3/t12-/m0/s1
InChIKeyWVFIHVMVHJMPKO-LBPRGKRZSA-N
MW343.36 g/mol
LogP0.08
Rot. Bonds7

About [(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate

[(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate (PubChem CID 51928625) has the molecular formula C14H17NO7S and a molecular weight of 343.36 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate
PubChem CID51928625
Molecular FormulaC14H17NO7S
Molecular Weight343.36 g/mol
Exact Mass343.07
IUPAC Name[(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCOC2=O)cc1
InChIInChI=1S/C14H17NO7S/c1-20-9-7-15-23(18,19)11-4-2-10(3-5-11)13(16)22-12-6-8-21-14(12)17/h2-5,12,15H,6-9H2,1H3/t12-/m0/s1
InChIKeyWVFIHVMVHJMPKO-LBPRGKRZSA-N
XLogP0.08
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 46679708
[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate
CID 2122814
N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate
CID 2380151
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
(2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
CID 3519185
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
CID 17464043
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088
4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 82165049
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 34840068

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate (CID 51928625) is [(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate is COCCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCOC2=O)cc1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate?
The InChIKey is WVFIHVMVHJMPKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO7S/c1-20-9-7-15-23(18,19)11-4-2-10(3-5-11)13(16)22-12-6-8-21-14(12)17/h2-5,12,15H,6-9H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate?
[(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate has a molecular weight of 343.36 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 4-(2-methoxyethylsulfamoyl)benzoate is sourced from PubChem (CID 51928625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).