[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate

C20H17Cl2NO6S — CID 2615058

IUPAC[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
SMILESC=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCOC2=O)c1
InChIInChI=1S/C20H17Cl2NO6S/c1-2-10-23(14-5-3-13(21)4-6-14)30(26,27)15-7-8-17(22)16(12-15)19(24)29-18-9-11-28-20(18)25/h2-8,12,18H,1,9-11H2/t18-/m1/s1
InChIKeyVEUWXTBDPVJPKV-GOSISDBHSA-N
MW470.33 g/mol
LogP3.85
Rot. Bonds7

About [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate

[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate (PubChem CID 2615058) has the molecular formula C20H17Cl2NO6S and a molecular weight of 470.33 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
PubChem CID2615058
Molecular FormulaC20H17Cl2NO6S
Molecular Weight470.33 g/mol
Exact Mass469.02
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
SMILESC=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCOC2=O)c1
InChIInChI=1S/C20H17Cl2NO6S/c1-2-10-23(14-5-3-13(21)4-6-14)30(26,27)15-7-8-17(22)16(12-15)19(24)29-18-9-11-28-20(18)25/h2-8,12,18H,1,9-11H2/t18-/m1/s1
InChIKeyVEUWXTBDPVJPKV-GOSISDBHSA-N
XLogP3.85
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 2-chloro-5-methylsulfonylbenzoate
CID 2502939
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2466330
2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 2375923
N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 3277354
2-chloro-N-cyclopropyl-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 27537246
(2-methoxy-2-oxoethyl) 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 16569634
2-chloro-N-[(4-chlorophenyl)methyl]-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 5211087
[2-(dimethylamino)-2-oxoethyl] 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
CID 16537435
2-chloro-N-(cyclopentylmethyl)-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 39211952
(4-cyanophenyl)methyl 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2585699
methyl 2-chloro-5-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]benzoate
CID 100529138
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2585592

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate (CID 2615058) is [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate is C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCOC2=O)c1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate?
The InChIKey is VEUWXTBDPVJPKV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17Cl2NO6S/c1-2-10-23(14-5-3-13(21)4-6-14)30(26,27)15-7-8-17(22)16(12-15)19(24)29-18-9-11-28-20(18)25/h2-8,12,18H,1,9-11H2/t18-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate?
[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate has a molecular weight of 470.33 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate is sourced from PubChem (CID 2615058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).