2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene

C138H205F4N5O20S11-2 — CID 158304290

About 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene

2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene (PubChem CID 158304290) has the molecular formula C138H205F4N5O20S11-2 and a molecular weight of 2682.90 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene
• PubChem CID: 158304290
• Molecular Formula: C138H205F4N5O20S11-2
• Molecular Weight: 2682.90 g/mol
• Exact Mass: 2680.21
• IUPAC Name: 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene
• SMILES: CC(C)S(=O)(=O)CC1CCC(CCCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3ocnc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3sccc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2nnc(-c3ccc(F)cc3)s2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.COc1cc(CCC2CCC(C)CC2)cc(OC)c1OC
• InChI: InChI=1S/C20H27FN2O2S2.C20H33NO4S2.C20H28O2S2.C19H27NO3S.C19H27NO2S2.C18H28O3.C16H21F3.2C3H8O2S/c1-14(2)27(24,25)13-16-5-3-15(4-6-16)7-12-19-22-23-20(26-19)17-8-10-18(21)11-9-17;1-16(2)26(22,23)15-19-9-7-17(8-10-19)5-3-4-6-18-11-13-20(14-12-18)27(21,24)25;1-15(2)24(21,22)14-18-7-4-16(5-8-18)3-6-17-9-10-20-19(13-17)11-12-23-20;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-19-18(11-16)20-13-23-19;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-18-19(11-16)23-13-20-18;1-13-5-7-14(8-6-13)9-10-15-11-16(19-2)18(21-4)17(12-15)20-3;1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17,18)19;2*1-3(2)6(4)5/h8-11,14-16H,3-7,12-13H2,1-2H3;11-14,16-17,19H,3-10,15H2,1-2H3,(H2,21,24,25);9-13,15-16,18H,3-8,14H2,1-2H3;2*9-11,13-15,17H,3-8,12H2,1-2H3;11-14H,5-10H2,1-4H3;8-13H,2-7H2,1H3;2*3H,1-2H3,(H,4,5)/p-2
• InChIKey: BWNIWVQMLOLGPL-UHFFFAOYSA-L
• XLogP: 33.78
• TPSA: 403.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 45
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2682.90
LogP ≤ 5	33.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene?

The IUPAC name of 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene (CID 158304290) is 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene.

What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene?

The canonical SMILES for 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene is CC(C)S(=O)(=O)CC1CCC(CCCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3ocnc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3sccc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2nnc(-c3ccc(F)cc3)s2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.COc1cc(CCC2CCC(C)CC2)cc(OC)c1OC.

What is the InChIKey of 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene?

The InChIKey is BWNIWVQMLOLGPL-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H27FN2O2S2.C20H33NO4S2.C20H28O2S2.C19H27NO3S.C19H27NO2S2.C18H28O3.C16H21F3.2C3H8O2S/c1-14(2)27(24,25)13-16-5-3-15(4-6-16)7-12-19-22-23-20(26-19)17-8-10-18(21)11-9-17;1-16(2)26(22,23)15-19-9-7-17(8-10-19)5-3-4-6-18-11-13-20(14-12-18)27(21,24)25;1-15(2)24(21,22)14-18-7-4-16(5-8-18)3-6-17-9-10-20-19(13-17)11-12-23-20;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-19-18(11-16)20-13-23-19;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-18-19(11-16)23-13-20-18;1-13-5-7-14(8-6-13)9-10-15-11-16(19-2)18(21-4)17(12-15)20-3;1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17,18)19;2*1-3(2)6(4)5/h8-11,14-16H,3-7,12-13H2,1-2H3;11-14,16-17,19H,3-10,15H2,1-2H3,(H2,21,24,25);9-13,15-16,18H,3-8,14H2,1-2H3;2*9-11,13-15,17H,3-8,12H2,1-2H3;11-14H,5-10H2,1-4H3;8-13H,2-7H2,1H3;2*3H,1-2H3,(H,4,5)/p-2.

What are the key properties of 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene?

2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene has a molecular weight of 2682.90 g/mol, XLogP of 33.78, 45 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;1-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene;bis(propane-2-sulfinate);4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1,2,3-trimethoxy-5-[2-(4-methylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 158304290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).