bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate

C171H194Cl12F9N14O29S12-7 — CID 159136887

About bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate

bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate (PubChem CID 159136887) has the molecular formula C171H194Cl12F9N14O29S12-7 and a molecular weight of 3890.72 g/mol. Its IUPAC name is bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate.

Molecular Properties

• Compound Name: bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate
• PubChem CID: 159136887
• Molecular Formula: C171H194Cl12F9N14O29S12-7
• Molecular Weight: 3890.72 g/mol
• Exact Mass: 3881.69
• IUPAC Name: bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate
• SMILES: CS(=O)[O-].CS(=O)[O-].CS(=O)[O-].Cc1cc(Cl)c(F)c(OC2CCN(Cc3cc(F)c(C(N)=O)cc3C3CC3)CC2)c1.Cc1cc(Cl)c(F)c(OC2CCN(Cc3cc(F)c(C(N)=O)cc3C3CC3)CC2)c1.NC(=O)c1cc(C2CC2)c(CN2CCC(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(S(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(S(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Sc3cc(Cl)cc(Cl)c3)CC2)cc1F.O=S([O-])C1CC1.O=S([O-])C1CC1.O=S([O-])C1CC1.O=S([O-])C1CC1
• InChI: InChI=1S/2C23H25ClF2N2O2.2C22H23Cl2FN2O3S.2C22H23Cl2FN2O2S.C22H23Cl2FN2OS.4C3H6O2S.3CH4O2S/c2*1-13-8-19(24)22(26)21(9-13)30-16-4-6-28(7-5-16)12-15-10-20(25)18(23(27)29)11-17(15)14-2-3-14;2*23-15-8-16(24)10-18(9-15)31(29,30)17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13;2*23-15-8-16(24)10-18(9-15)30(29)17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13;23-15-8-16(24)10-18(9-15)29-17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13;4*4-6(5)3-1-2-3;3*1-4(2)3/h2*8-11,14,16H,2-7,12H2,1H3,(H2,27,29);2*7-11,13,17H,1-6,12H2,(H2,26,28);2*7-11,13,17H,1-6,12H2,(H2,26,28);7-11,13,17H,1-6,12H2,(H2,26,28);4*3H,1-2H2,(H,4,5);3*1H3,(H,2,3)/p-7
• InChIKey: BWTWDASDOUNFQC-UHFFFAOYSA-G
• XLogP: 33.21
• TPSA: 726.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 46
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3890.72
LogP ≤ 5	33.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate?

The IUPAC name of bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate (CID 159136887) is bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate.

What is the SMILES notation for bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate?

The canonical SMILES for bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate is CS(=O)[O-].CS(=O)[O-].CS(=O)[O-].Cc1cc(Cl)c(F)c(OC2CCN(Cc3cc(F)c(C(N)=O)cc3C3CC3)CC2)c1.Cc1cc(Cl)c(F)c(OC2CCN(Cc3cc(F)c(C(N)=O)cc3C3CC3)CC2)c1.NC(=O)c1cc(C2CC2)c(CN2CCC(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(S(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(S(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F.NC(=O)c1cc(C2CC2)c(CN2CCC(Sc3cc(Cl)cc(Cl)c3)CC2)cc1F.O=S([O-])C1CC1.O=S([O-])C1CC1.O=S([O-])C1CC1.O=S([O-])C1CC1.

What is the InChIKey of bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate?

The InChIKey is BWTWDASDOUNFQC-UHFFFAOYSA-G. The full InChI is InChI=1S/2C23H25ClF2N2O2.2C22H23Cl2FN2O3S.2C22H23Cl2FN2O2S.C22H23Cl2FN2OS.4C3H6O2S.3CH4O2S/c2*1-13-8-19(24)22(26)21(9-13)30-16-4-6-28(7-5-16)12-15-10-20(25)18(23(27)29)11-17(15)14-2-3-14;2*23-15-8-16(24)10-18(9-15)31(29,30)17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13;2*23-15-8-16(24)10-18(9-15)30(29)17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13;23-15-8-16(24)10-18(9-15)29-17-3-5-27(6-4-17)12-14-7-21(25)20(22(26)28)11-19(14)13-1-2-13;4*4-6(5)3-1-2-3;3*1-4(2)3/h2*8-11,14,16H,2-7,12H2,1H3,(H2,27,29);2*7-11,13,17H,1-6,12H2,(H2,26,28);2*7-11,13,17H,1-6,12H2,(H2,26,28);7-11,13,17H,1-6,12H2,(H2,26,28);4*3H,1-2H2,(H,4,5);3*1H3,(H,2,3)/p-7.

What are the key properties of bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate?

bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate has a molecular weight of 3890.72 g/mol, XLogP of 33.21, 46 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-[[4-(3-chloro-2-fluoro-5-methylphenoxy)piperidin-1-yl]methyl]-5-cyclopropyl-2-fluorobenzamide);cyclopropanesulfinate;5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfanylpiperidin-1-yl]methyl]-2-fluorobenzamide;bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfinylpiperidin-1-yl]methyl]-2-fluorobenzamide);bis(5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluorobenzamide);methanesulfinate is sourced from PubChem (CID 159136887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).