(2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

C19H19NO7S — CID 25047929

IUPAC(2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC2CCOC2=O)cc1
InChIInChI=1S/C19H19NO7S/c1-2-25-13-7-9-14(10-8-13)28(23,24)20-16-6-4-3-5-15(16)18(21)27-17-11-12-26-19(17)22/h3-10,17,20H,2,11-12H2,1H3
InChIKeyZQEUWGNUNDPOIP-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.36
Rot. Bonds7

About (2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

(2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (PubChem CID 25047929) has the molecular formula C19H19NO7S and a molecular weight of 405.43 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
PubChem CID25047929
Molecular FormulaC19H19NO7S
Molecular Weight405.43 g/mol
Exact Mass405.09
IUPAC Name(2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC2CCOC2=O)cc1
InChIInChI=1S/C19H19NO7S/c1-2-25-13-7-9-14(10-8-13)28(23,24)20-16-6-4-3-5-15(16)18(21)27-17-11-12-26-19(17)22/h3-10,17,20H,2,11-12H2,1H3
InChIKeyZQEUWGNUNDPOIP-UHFFFAOYSA-N
XLogP2.36
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7951667
methyl 3-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzoate
CID 894262
methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate
CID 68579485
methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 3573663
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16527095
2-[(6-ethoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824630
methyl 2-[(4-hexadecoxyphenyl)sulfonylamino]benzoate
CID 15002142
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of (2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (CID 25047929) is (2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC2CCOC2=O)cc1.
What is the InChIKey of (2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The InChIKey is ZQEUWGNUNDPOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO7S/c1-2-25-13-7-9-14(10-8-13)28(23,24)20-16-6-4-3-5-15(16)18(21)27-17-11-12-26-19(17)22/h3-10,17,20H,2,11-12H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
(2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate has a molecular weight of 405.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 25047929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).