4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate

C89H86BrCl14F4N5O15S — CID 158871205

About 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate

4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate (PubChem CID 158871205) has the molecular formula C89H86BrCl14F4N5O15S and a molecular weight of 2149.99 g/mol. Its IUPAC name is 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate.

Molecular Properties

• Compound Name: 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate
• PubChem CID: 158871205
• Molecular Formula: C89H86BrCl14F4N5O15S
• Molecular Weight: 2149.99 g/mol
• Exact Mass: 2141.06
• IUPAC Name: 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate
• SMILES: COC(=O)c1cc(Cl)c(O)cc1F.COC(=O)c1cc(Cl)c(OC2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F.Clc1ccc(Br)cc1Cl.O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OC2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F.O=C(O)c1cc(Cl)c(OC2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F.OC1CCCCC1.OC1CCN(c2ccc(Cl)c(Cl)c2)CC1
• InChI: InChI=1S/C21H20Cl3FN2O4S.C19H17Cl3FNO3.C18H15Cl3FNO3.C11H13Cl2NO.C8H6ClFO3.C6H3BrCl2.C6H12O/c22-16-4-1-12(9-17(16)23)27-7-5-13(6-8-27)31-20-11-19(25)15(10-18(20)24)21(28)26-32(29,30)14-2-3-14;1-26-19(25)13-9-16(22)18(10-17(13)23)27-12-4-6-24(7-5-12)11-2-3-14(20)15(21)8-11;19-13-2-1-10(7-14(13)20)23-5-3-11(4-6-23)26-17-9-16(22)12(18(24)25)8-15(17)21;12-10-2-1-8(7-11(10)13)14-5-3-9(15)4-6-14;1-13-8(12)4-2-5(9)7(11)3-6(4)10;7-4-1-2-5(8)6(9)3-4;7-6-4-2-1-3-5-6/h1,4,9-11,13-14H,2-3,5-8H2,(H,26,28);2-3,8-10,12H,4-7H2,1H3;1-2,7-9,11H,3-6H2,(H,24,25);1-2,7,9,15H,3-6H2;2-3,11H,1H3;1-3H;6-7H,1-5H2
• InChIKey: JBWDQCIBBQYDIY-UHFFFAOYSA-N
• XLogP: 26.20
• TPSA: 254.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2149.99
LogP ≤ 5	26.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate?

The IUPAC name of 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate (CID 158871205) is 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate.

What is the SMILES notation for 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate?

The canonical SMILES for 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate is COC(=O)c1cc(Cl)c(O)cc1F.COC(=O)c1cc(Cl)c(OC2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F.Clc1ccc(Br)cc1Cl.O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OC2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F.O=C(O)c1cc(Cl)c(OC2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F.OC1CCCCC1.OC1CCN(c2ccc(Cl)c(Cl)c2)CC1.

What is the InChIKey of 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate?

The InChIKey is JBWDQCIBBQYDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3FN2O4S.C19H17Cl3FNO3.C18H15Cl3FNO3.C11H13Cl2NO.C8H6ClFO3.C6H3BrCl2.C6H12O/c22-16-4-1-12(9-17(16)23)27-7-5-13(6-8-27)31-20-11-19(25)15(10-18(20)24)21(28)26-32(29,30)14-2-3-14;1-26-19(25)13-9-16(22)18(10-17(13)23)27-12-4-6-24(7-5-12)11-2-3-14(20)15(21)8-11;19-13-2-1-10(7-14(13)20)23-5-3-11(4-6-23)26-17-9-16(22)12(18(24)25)8-15(17)21;12-10-2-1-8(7-11(10)13)14-5-3-9(15)4-6-14;1-13-8(12)4-2-5(9)7(11)3-6(4)10;7-4-1-2-5(8)6(9)3-4;7-6-4-2-1-3-5-6/h1,4,9-11,13-14H,2-3,5-8H2,(H,26,28);2-3,8-10,12H,4-7H2,1H3;1-2,7-9,11H,3-6H2,(H,24,25);1-2,7,9,15H,3-6H2;2-3,11H,1H3;1-3H;6-7H,1-5H2.

What are the key properties of 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate?

4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate has a molecular weight of 2149.99 g/mol, XLogP of 26.20, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1,2-dichlorobenzene;5-chloro-N-cyclopropylsulfonyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzamide;5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoic acid;cyclohexanol;1-(3,4-dichlorophenyl)piperidin-4-ol;methyl 5-chloro-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluorobenzoate;methyl 5-chloro-2-fluoro-4-hydroxybenzoate is sourced from PubChem (CID 158871205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).