ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate

C15H21NO5S — CID 94814688

IUPACethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO5S/c1-2-20-15(17)12-5-7-14(8-6-12)22(18,19)16-10-9-13-4-3-11-21-13/h5-8,13,16H,2-4,9-11H2,1H3/t13-/m1/s1
InChIKeyKVMGVXLKIYPRJT-CYBMUJFWSA-N
MW327.40 g/mol
LogP1.71
Rot. Bonds7

About ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate

ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate (PubChem CID 94814688) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
PubChem CID94814688
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Nameethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO5S/c1-2-20-15(17)12-5-7-14(8-6-12)22(18,19)16-10-9-13-4-3-11-21-13/h5-8,13,16H,2-4,9-11H2,1H3/t13-/m1/s1
InChIKeyKVMGVXLKIYPRJT-CYBMUJFWSA-N
XLogP1.71
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224
2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid
CID 61039961
N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
CID 62159061
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983105
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-(ethylsulfamoyl)benzoate
CID 7828186
[2-(4-methylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983106
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42988399
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442
2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716763
2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 60727298

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate?
The IUPAC name of ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate (CID 94814688) is ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1.
What is the InChIKey of ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate?
The InChIKey is KVMGVXLKIYPRJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-2-20-15(17)12-5-7-14(8-6-12)22(18,19)16-10-9-13-4-3-11-21-13/h5-8,13,16H,2-4,9-11H2,1H3/t13-/m1/s1.
What are the key properties of ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate?
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate has a molecular weight of 327.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate is sourced from PubChem (CID 94814688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).