1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine

C116H130Cl15N9O21S5 — CID 160627470

About 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine

1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine (PubChem CID 160627470) has the molecular formula C116H130Cl15N9O21S5 and a molecular weight of 2678.49 g/mol. Its IUPAC name is 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine.

Molecular Properties

• Compound Name: 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine
• PubChem CID: 160627470
• Molecular Formula: C116H130Cl15N9O21S5
• Molecular Weight: 2678.49 g/mol
• Exact Mass: 2669.33
• IUPAC Name: 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine
• SMILES: CC(CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OCC(C)Cn3ccnc3)cc2)cc1Cl.C[C@@H](CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OC[C@H](C)CN3CCOCC3)cc2)cc1Cl.C[C@H](CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OC[C@@H](C)Cn3ccnc3)cc2)cc1Cl.C[C@H](CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OC[C@H](C)Cn3ccnc3)cc2)cc1Cl.C[C@H](COc1ccc(S(=O)(=O)c2cc(Cl)c(OC[C@@H](C)CCl)c(Cl)c2)cc1)Cn1ccnc1
• InChI: InChI=1S/C24H30Cl3NO5S.4C23H25Cl3N2O4S/c1-17(13-25)15-33-24-22(26)11-21(12-23(24)27)34(29,30)20-5-3-19(4-6-20)32-16-18(2)14-28-7-9-31-10-8-28;4*1-16(11-24)13-32-23-21(25)9-20(10-22(23)26)33(29,30)19-5-3-18(4-6-19)31-14-17(2)12-28-8-7-27-15-28/h3-6,11-12,17-18H,7-10,13-16H2,1-2H3;4*3-10,15-17H,11-14H2,1-2H3/t17-,18+;16-,17+;2*16-,17-;/m0110./s1
• InChIKey: RHMMNLWJIOTMDK-PLLAVUCZSA-N
• XLogP: 29.39
• TPSA: 346.75 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 55
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2678.49
LogP ≤ 5	29.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine?

The IUPAC name of 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine (CID 160627470) is 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine.

What is the SMILES notation for 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine?

The canonical SMILES for 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine is CC(CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OCC(C)Cn3ccnc3)cc2)cc1Cl.C[C@@H](CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OC[C@H](C)CN3CCOCC3)cc2)cc1Cl.C[C@H](CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OC[C@@H](C)Cn3ccnc3)cc2)cc1Cl.C[C@H](CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OC[C@H](C)Cn3ccnc3)cc2)cc1Cl.C[C@H](COc1ccc(S(=O)(=O)c2cc(Cl)c(OC[C@@H](C)CCl)c(Cl)c2)cc1)Cn1ccnc1.

What is the InChIKey of 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine?

The InChIKey is RHMMNLWJIOTMDK-PLLAVUCZSA-N. The full InChI is InChI=1S/C24H30Cl3NO5S.4C23H25Cl3N2O4S/c1-17(13-25)15-33-24-22(26)11-21(12-23(24)27)34(29,30)20-5-3-19(4-6-20)32-16-18(2)14-28-7-9-31-10-8-28;4*1-16(11-24)13-32-23-21(25)9-20(10-22(23)26)33(29,30)19-5-3-18(4-6-19)31-14-17(2)12-28-8-7-27-15-28/h3-6,11-12,17-18H,7-10,13-16H2,1-2H3;4*3-10,15-17H,11-14H2,1-2H3/t17-,18+;16-,17+;2*16-,17-;/m0110./s1.

What are the key properties of 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine?

1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine has a molecular weight of 2678.49 g/mol, XLogP of 29.39, 55 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;1-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]imidazole;4-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine is sourced from PubChem (CID 160627470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).