ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate

C90H102Cl6F6N6O24S6 — CID 157118053

IUPACethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate
SMILES[2H]C1=C(C(=O)OCC)[C@H](S(=O)(=O)N([2H])c2ccc(F)cc2Cl)C([2H])([2H])CC1([2H])[2H].[2H]C1=C(C(=O)OCC)[C@]([2H])(S(=O)(=O)N([2H])c2ccc(F)cc2Cl)C([2H])([2H])CC1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@@]1([2H])C(C(=O)OCC)=CC([2H])([2H])C([2H])([2H])C1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@@]1([2H])C(C(=O)OCC)=CCC([2H])([2H])C1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@H]1C(C(=O)OCC)=CC([2H])([2H])C([2H])([2H])C1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@H]1C(C(=O)OCC)=CCC([2H])([2H])C1([2H])[2H]
InChIInChI=1S/6C15H17ClFNO4S/c6*1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h6*5,7-9,14,18H,2-4,6H2,1H3/t6*14-/m111111/s1/i3D2,5D,6D2,14D;3D2,4D2,6D2,14D;4D2,6D2,14D;3D2,5D,6D2;3D2,4D2,6D2;4D2,6D2/hD6
InChIKeyAHQDDEUENZOYIU-ALFPKVKHSA-N
MW2210.17 g/mol
LogP19.58
Rot. Bonds30

About ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate

ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate (PubChem CID 157118053) has the molecular formula C90H102Cl6F6N6O24S6 and a molecular weight of 2210.17 g/mol. Its IUPAC name is ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate
PubChem CID157118053
Molecular FormulaC90H102Cl6F6N6O24S6
Molecular Weight2210.17 g/mol
Exact Mass2205.58
IUPAC Nameethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate
SMILES[2H]C1=C(C(=O)OCC)[C@H](S(=O)(=O)N([2H])c2ccc(F)cc2Cl)C([2H])([2H])CC1([2H])[2H].[2H]C1=C(C(=O)OCC)[C@]([2H])(S(=O)(=O)N([2H])c2ccc(F)cc2Cl)C([2H])([2H])CC1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@@]1([2H])C(C(=O)OCC)=CC([2H])([2H])C([2H])([2H])C1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@@]1([2H])C(C(=O)OCC)=CCC([2H])([2H])C1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@H]1C(C(=O)OCC)=CC([2H])([2H])C([2H])([2H])C1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@H]1C(C(=O)OCC)=CCC([2H])([2H])C1([2H])[2H]
InChIInChI=1S/6C15H17ClFNO4S/c6*1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h6*5,7-9,14,18H,2-4,6H2,1H3/t6*14-/m111111/s1/i3D2,5D,6D2,14D;3D2,4D2,6D2,14D;4D2,6D2,14D;3D2,5D,6D2;3D2,4D2,6D2;4D2,6D2/hD6
InChIKeyAHQDDEUENZOYIU-ALFPKVKHSA-N
XLogP19.58
TPSA434.82 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002210.17
LogP ≤ 519.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,4,4,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,4,4-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,4,4,6-tetradeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4-tetradeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,4,4-trideuteriocyclohexene-1-carboxylate
CID 157118059
ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,6-pentadeuteriocyclohexene-1-carboxylate
CID 25204913
ethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate
CID 25204712
ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4-dideuteriocyclohexene-1-carboxylate
CID 25204509
ethyl 6-[(2-chloro-4-fluorophenyl)sulfamoyl]-2,3,3,4,4-pentadeuteriocyclohexene-1-carboxylate
CID 25206439
ethyl 6-[(2-chloro-4-fluorophenyl)sulfamoyl]-2,4,4-trideuteriocyclohexene-1-carboxylate
CID 25206437
ethyl (6R)-6-[(2-chloro-3,5,6-trideuterio-4-fluorophenyl)sulfamoyl]-5,5-dideuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-3,5,6-trideuterio-4-fluorophenyl)sulfamoyl]-2,3,3,4,4,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-3,5,6-trideuterio-4-fluorophenyl)sulfamoyl]-2,3,3,4,4-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-3,5,6-trideuterio-4-fluorophenyl)sulfamoyl]-2,4,4,6-tetradeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-3,5,6-trideuterio-4-fluorophenyl)sulfamoyl]-2,4,4-trideuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-3,5,6-trideuterio-4-fluorophenyl)sulfamoyl]-5,5,6-trideuteriocyclohexene-1-carboxylate
CID 157118082
ethyl (6S)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
CID 11545031
ethyl 6-[(2-chloro-3,5,6-trideuterio-4-fluorophenyl)sulfamoyl]-3,3,4,4-tetradeuteriocyclohexene-1-carboxylate
CID 25205818
ethyl 5-[(2-chloro-4-fluorophenyl)sulfamoyl]cycloheptene-1-carboxylate
CID 142760613
ethyl (6R)-6-[(2-chloro-3,5,6-trideuterio-4-fluorophenyl)sulfamoyl]-2,4,4,6-tetradeuteriocyclohexene-1-carboxylate
CID 25204235
ethyl 6-[acetyloxymethyl-(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
CID 24897627

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate?
The IUPAC name of ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate (CID 157118053) is ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate.
What is the SMILES notation for ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate?
The canonical SMILES for ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate is [2H]C1=C(C(=O)OCC)[C@H](S(=O)(=O)N([2H])c2ccc(F)cc2Cl)C([2H])([2H])CC1([2H])[2H].[2H]C1=C(C(=O)OCC)[C@]([2H])(S(=O)(=O)N([2H])c2ccc(F)cc2Cl)C([2H])([2H])CC1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@@]1([2H])C(C(=O)OCC)=CC([2H])([2H])C([2H])([2H])C1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@@]1([2H])C(C(=O)OCC)=CCC([2H])([2H])C1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@H]1C(C(=O)OCC)=CC([2H])([2H])C([2H])([2H])C1([2H])[2H].[2H]N(c1ccc(F)cc1Cl)S(=O)(=O)[C@H]1C(C(=O)OCC)=CCC([2H])([2H])C1([2H])[2H].
What is the InChIKey of ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate?
The InChIKey is AHQDDEUENZOYIU-ALFPKVKHSA-N. The full InChI is InChI=1S/6C15H17ClFNO4S/c6*1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h6*5,7-9,14,18H,2-4,6H2,1H3/t6*14-/m111111/s1/i3D2,5D,6D2,14D;3D2,4D2,6D2,14D;4D2,6D2,14D;3D2,5D,6D2;3D2,4D2,6D2;4D2,6D2/hD6.
What are the key properties of ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate?
ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate has a molecular weight of 2210.17 g/mol, XLogP of 19.58, 30 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5,6-heptadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5,6-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-3,3,4,4,5,5-hexadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-2,3,3,5,5-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5,6-pentadeuteriocyclohexene-1-carboxylate;ethyl (6R)-6-[(2-chloro-4-fluorophenyl)-deuteriosulfamoyl]-4,4,5,5-tetradeuteriocyclohexene-1-carboxylate is sourced from PubChem (CID 157118053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).