N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide

C117H152Cl15N5O26S5 — CID 161057461

About N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide

N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide (PubChem CID 161057461) has the molecular formula C117H152Cl15N5O26S5 and a molecular weight of 2736.64 g/mol. Its IUPAC name is N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide.

Molecular Properties

• Compound Name: N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide
• PubChem CID: 161057461
• Molecular Formula: C117H152Cl15N5O26S5
• Molecular Weight: 2736.64 g/mol
• Exact Mass: 2727.47
• IUPAC Name: N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide
• SMILES: CC(=O)N(C[C@@H](O)COc1ccc(C(C)(C)c2cc(Cl)c(OC[C@@H](C)CCl)c(Cl)c2)cc1)S(C)(=O)=O.CC(CCl)COc1c(Cl)cc(C(C)(C)c2ccc(OCC(O)CNS(C)(=O)=O)cc2)cc1Cl.C[C@@H](CCl)COc1c(Cl)cc(C(C)(C)c2ccc(OC[C@@H](O)CNS(C)(=O)=O)cc2)cc1Cl.C[C@H](CCl)COc1c(Cl)cc(C(C)(C)c2ccc(OC[C@@H](O)CNS(C)(=O)=O)cc2)cc1Cl.C[C@H](CCl)COc1c(Cl)cc(C(C)(C)c2ccc(OC[C@H](O)CNS(C)(=O)=O)cc2)cc1Cl
• InChI: InChI=1S/C25H32Cl3NO6S.4C23H30Cl3NO5S/c1-16(12-26)14-35-24-22(27)10-19(11-23(24)28)25(3,4)18-6-8-21(9-7-18)34-15-20(31)13-29(17(2)30)36(5,32)33;4*1-15(11-24)13-32-22-20(25)9-17(10-21(22)26)23(2,3)16-5-7-19(8-6-16)31-14-18(28)12-27-33(4,29)30/h6-11,16,20,31H,12-15H2,1-5H3;4*5-10,15,18,27-28H,11-14H2,1-4H3/t16-,20+;15-,18+;2*15-,18-;/m0110./s1
• InChIKey: UCYCPWBNBYLAPC-QHDSOMFKSA-N
• XLogP: 24.57
• TPSA: 432.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 60
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2736.64
LogP ≤ 5	24.57
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

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-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide?

The IUPAC name of N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide (CID 161057461) is N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide.

What is the SMILES notation for N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide?

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

What is the InChIKey of N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide?

The InChIKey is UCYCPWBNBYLAPC-QHDSOMFKSA-N. The full InChI is InChI=1S/C25H32Cl3NO6S.4C23H30Cl3NO5S/c1-16(12-26)14-35-24-22(27)10-19(11-23(24)28)25(3,4)18-6-8-21(9-7-18)34-15-20(31)13-29(17(2)30)36(5,32)33;4*1-15(11-24)13-32-22-20(25)9-17(10-21(22)26)23(2,3)16-5-7-19(8-6-16)31-14-18(28)12-27-33(4,29)30/h6-11,16,20,31H,12-15H2,1-5H3;4*5-10,15,18,27-28H,11-14H2,1-4H3/t16-,20+;15-,18+;2*15-,18-;/m0110./s1.

What are the key properties of N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide?

N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide has a molecular weight of 2736.64 g/mol, XLogP of 24.57, 60 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2S)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[3-[4-[2-[3,5-dichloro-4-(3-chloro-2-methylpropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]methanesulfonamide;N-[(2R)-3-[4-[2-[3,5-dichloro-4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-N-methylsulfonylacetamide is sourced from PubChem (CID 161057461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).