4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine

C52H52Cl4F6N2O5S2Si — CID 160771736

About 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine

4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine (PubChem CID 160771736) has the molecular formula C52H52Cl4F6N2O5S2Si and a molecular weight of 1133.02 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine.

Molecular Properties

• Compound Name: 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine
• PubChem CID: 160771736
• Molecular Formula: C52H52Cl4F6N2O5S2Si
• Molecular Weight: 1133.02 g/mol
• Exact Mass: 1130.17
• IUPAC Name: 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine
• SMILES: COCN(Cc1ccccc1)C[Si](C)(C)C.O=S(=O)(/C=C(\c1cc(Cl)cc(Cl)c1)C(F)(F)F)c1ccccc1.O=S(=O)(c1ccccc1)C1CN(Cc2ccccc2)CC1(c1cc(Cl)cc(Cl)c1)C(F)(F)F
• InChI: InChI=1S/C24H20Cl2F3NO2S.C15H9Cl2F3O2S.C13H23NOSi/c25-19-11-18(12-20(26)13-19)23(24(27,28)29)16-30(14-17-7-3-1-4-8-17)15-22(23)33(31,32)21-9-5-2-6-10-21;16-11-6-10(7-12(17)8-11)14(15(18,19)20)9-23(21,22)13-4-2-1-3-5-13;1-15-11-14(12-16(2,3)4)10-13-8-6-5-7-9-13/h1-13,22H,14-16H2;1-9H;5-9H,10-12H2,1-4H3/b;14-9+
• InChIKey: RZKFTCNXFGAAIH-WNLPKAFNSA-N
• XLogP: 14.49
• TPSA: 83.99 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1133.02
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine?

The IUPAC name of 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine (CID 160771736) is 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine.

What is the SMILES notation for 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine?

The canonical SMILES for 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine is COCN(Cc1ccccc1)C[Si](C)(C)C.O=S(=O)(/C=C(\c1cc(Cl)cc(Cl)c1)C(F)(F)F)c1ccccc1.O=S(=O)(c1ccccc1)C1CN(Cc2ccccc2)CC1(c1cc(Cl)cc(Cl)c1)C(F)(F)F.

What is the InChIKey of 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine?

The InChIKey is RZKFTCNXFGAAIH-WNLPKAFNSA-N. The full InChI is InChI=1S/C24H20Cl2F3NO2S.C15H9Cl2F3O2S.C13H23NOSi/c25-19-11-18(12-20(26)13-19)23(24(27,28)29)16-30(14-17-7-3-1-4-8-17)15-22(23)33(31,32)21-9-5-2-6-10-21;16-11-6-10(7-12(17)8-11)14(15(18,19)20)9-23(21,22)13-4-2-1-3-5-13;1-15-11-14(12-16(2,3)4)10-13-8-6-5-7-9-13/h1-13,22H,14-16H2;1-9H;5-9H,10-12H2,1-4H3/b;14-9+;.

What are the key properties of 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine?

4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine has a molecular weight of 1133.02 g/mol, XLogP of 14.49, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine is sourced from PubChem (CID 160771736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).