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

C141H174Cl18N6O36S9 — CID 159715568

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

N-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;4-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine (PubChem CID 159715568) has the molecular formula C141H174Cl18N6O36S9 and a molecular weight of 3455.71 g/mol. Its IUPAC name is N-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;4-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine.

Molecular Properties

• Compound Name: N-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;4-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine
• PubChem CID: 159715568
• Molecular Formula: C141H174Cl18N6O36S9
• Molecular Weight: 3455.71 g/mol
• Exact Mass: 3444.38
• IUPAC Name: N-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;4-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine
• SMILES: CC(=O)N(C[C@@H](C)COc1ccc(S(=O)(=O)c2cc(Cl)c(OC[C@@H](C)CCl)c(Cl)c2)cc1)S(C)(=O)=O.CC(=O)N(C[C@H](C)COc1ccc(S(=O)(=O)c2cc(Cl)c(OC[C@@H](C)CCl)c(Cl)c2)cc1)S(C)(=O)=O.CC(=O)N(C[C@H](C)COc1ccc(S(=O)(=O)c2cc(Cl)c(OC[C@H](C)CCl)c(Cl)c2)cc1)S(C)(=O)=O.CC(CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OCC(C)CN3CCOCC3)cc2)cc1Cl.C[C@H](CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OC[C@H](C)CN3CCOCC3)cc2)cc1Cl.C[C@H](COc1ccc(S(=O)(=O)c2cc(Cl)c(OC[C@@H](C)CCl)c(Cl)c2)cc1)CN1CCOCC1
• InChI: InChI=1S/3C24H30Cl3NO5S.3C23H28Cl3NO7S2/c3*1-17(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;3*1-15(11-24)13-34-23-21(25)9-20(10-22(23)26)36(31,32)19-7-5-18(6-8-19)33-14-16(2)12-27(17(3)28)35(4,29)30/h3*3-6,11-12,17-18H,7-10,13-16H2,1-2H3;3*5-10,15-16H,11-14H2,1-4H3/t2*17-,18-;;2*15-,16+;15-,16-/m10.100/s1
• InChIKey: MZJPOZYNSYXWNW-ZEMHHCTBSA-N
• XLogP: 30.99
• TPSA: 516.36 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 69
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3455.71
LogP ≤ 5	30.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;4-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine (CID 159715568) is N-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;4-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine.

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

The canonical SMILES for N-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;4-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine is CC(=O)N(C[C@@H](C)COc1ccc(S(=O)(=O)c2cc(Cl)c(OC[C@@H](C)CCl)c(Cl)c2)cc1)S(C)(=O)=O.CC(=O)N(C[C@H](C)COc1ccc(S(=O)(=O)c2cc(Cl)c(OC[C@@H](C)CCl)c(Cl)c2)cc1)S(C)(=O)=O.CC(=O)N(C[C@H](C)COc1ccc(S(=O)(=O)c2cc(Cl)c(OC[C@H](C)CCl)c(Cl)c2)cc1)S(C)(=O)=O.CC(CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OCC(C)CN3CCOCC3)cc2)cc1Cl.C[C@H](CCl)COc1c(Cl)cc(S(=O)(=O)c2ccc(OC[C@H](C)CN3CCOCC3)cc2)cc1Cl.C[C@H](COc1ccc(S(=O)(=O)c2cc(Cl)c(OC[C@@H](C)CCl)c(Cl)c2)cc1)CN1CCOCC1.

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

The InChIKey is MZJPOZYNSYXWNW-ZEMHHCTBSA-N. The full InChI is InChI=1S/3C24H30Cl3NO5S.3C23H28Cl3NO7S2/c3*1-17(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;3*1-15(11-24)13-34-23-21(25)9-20(10-22(23)26)36(31,32)19-7-5-18(6-8-19)33-14-16(2)12-27(17(3)28)35(4,29)30/h3*3-6,11-12,17-18H,7-10,13-16H2,1-2H3;3*5-10,15-16H,11-14H2,1-4H3/t2*17-,18-;;2*15-,16+;15-,16-/m10.100/s1.

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

N-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;4-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine has a molecular weight of 3455.71 g/mol, XLogP of 30.99, 69 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2S)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;N-[(2R)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]-N-methylsulfonylacetamide;4-[(2S)-3-[4-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[(2R)-3-[4-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine;4-[3-[4-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]sulfonylphenoxy]-2-methylpropyl]morpholine is sourced from PubChem (CID 159715568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).