4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene

C154H238F6N2O19S11 — CID 158442745

About 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene

4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene (PubChem CID 158442745) has the molecular formula C154H238F6N2O19S11 and a molecular weight of 2888.32 g/mol. Its IUPAC name is 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene.

Molecular Properties

• Compound Name: 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene
• PubChem CID: 158442745
• Molecular Formula: C154H238F6N2O19S11
• Molecular Weight: 2888.32 g/mol
• Exact Mass: 2885.46
• IUPAC Name: 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene
• SMILES: CC(C)S(=O)(=O)CCCCCCCc1ccc2ccsc2c1.CC(C)S(=O)(=O)CCCCCCCc1cccc(C(F)(F)F)c1.CC1COc2ccc(CCCCCCCS(=O)(=O)C(C)C)cc2O1.CC1c2ccc(CCCCCCCS(=O)(=O)C(C)C)cc2C(C)C1C.Cc1c(CCCCCCCS(=O)(=O)C(C)C)ccc(C(F)(F)F)c1C.Cc1c(CCCCCCCS(=O)(=O)C(C)C)ccc2ccsc12.Cc1cc(CCCCCCCS(=O)(=O)C(C)C)c(C)c2scnc12.Cc1cc(CCCCCCCS(=O)(=O)C(C)C)cc(C(=O)NC(C)C)c1
• InChI: InChI=1S/C22H36O2S.C21H35NO3S.C19H29F3O2S.C19H29NO2S2.C19H30O4S.C19H28O2S2.C18H26O2S2.C17H25F3O2S/c1-16(2)25(23,24)14-10-8-6-7-9-11-20-12-13-21-18(4)17(3)19(5)22(21)15-20;1-16(2)22-21(23)20-14-18(5)13-19(15-20)11-9-7-6-8-10-12-26(24,25)17(3)4;1-14(2)25(23,24)13-9-7-5-6-8-10-17-11-12-18(19(20,21)22)16(4)15(17)3;1-14(2)24(21,22)11-9-7-5-6-8-10-17-12-15(3)18-19(16(17)4)23-13-20-18;1-15(2)24(20,21)12-8-6-4-5-7-9-17-10-11-18-19(13-17)23-16(3)14-22-18;1-15(2)23(20,21)14-8-6-4-5-7-9-17-10-11-18-12-13-22-19(18)16(17)3;1-15(2)22(19,20)13-7-5-3-4-6-8-16-9-10-17-11-12-21-18(17)14-16;1-14(2)23(21,22)12-7-5-3-4-6-9-15-10-8-11-16(13-15)17(18,19)20/h12-13,15-19H,6-11,14H2,1-5H3;13-17H,6-12H2,1-5H3,(H,22,23);11-12,14H,5-10,13H2,1-4H3;12-14H,5-11H2,1-4H3;10-11,13,15-16H,4-9,12,14H2,1-3H3;10-13,15H,4-9,14H2,1-3H3;9-12,14-15H,3-8,13H2,1-2H3;8,10-11,13-14H,3-7,9,12H2,1-2H3
• InChIKey: HDAAKCYGICXFHZ-UHFFFAOYSA-N
• XLogP: 41.10
• TPSA: 333.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 74
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2888.32
LogP ≤ 5	41.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene?

The IUPAC name of 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene (CID 158442745) is 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene.

What is the SMILES notation for 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene?

The canonical SMILES for 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene is CC(C)S(=O)(=O)CCCCCCCc1ccc2ccsc2c1.CC(C)S(=O)(=O)CCCCCCCc1cccc(C(F)(F)F)c1.CC1COc2ccc(CCCCCCCS(=O)(=O)C(C)C)cc2O1.CC1c2ccc(CCCCCCCS(=O)(=O)C(C)C)cc2C(C)C1C.Cc1c(CCCCCCCS(=O)(=O)C(C)C)ccc(C(F)(F)F)c1C.Cc1c(CCCCCCCS(=O)(=O)C(C)C)ccc2ccsc12.Cc1cc(CCCCCCCS(=O)(=O)C(C)C)c(C)c2scnc12.Cc1cc(CCCCCCCS(=O)(=O)C(C)C)cc(C(=O)NC(C)C)c1.

What is the InChIKey of 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene?

The InChIKey is HDAAKCYGICXFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2S.C21H35NO3S.C19H29F3O2S.C19H29NO2S2.C19H30O4S.C19H28O2S2.C18H26O2S2.C17H25F3O2S/c1-16(2)25(23,24)14-10-8-6-7-9-11-20-12-13-21-18(4)17(3)19(5)22(21)15-20;1-16(2)22-21(23)20-14-18(5)13-19(15-20)11-9-7-6-8-10-12-26(24,25)17(3)4;1-14(2)25(23,24)13-9-7-5-6-8-10-17-11-12-18(19(20,21)22)16(4)15(17)3;1-14(2)24(21,22)11-9-7-5-6-8-10-17-12-15(3)18-19(16(17)4)23-13-20-18;1-15(2)24(20,21)12-8-6-4-5-7-9-17-10-11-18-19(13-17)23-16(3)14-22-18;1-15(2)23(20,21)14-8-6-4-5-7-9-17-10-11-18-12-13-22-19(18)16(17)3;1-15(2)22(19,20)13-7-5-3-4-6-8-16-9-10-17-11-12-21-18(17)14-16;1-14(2)23(21,22)12-7-5-3-4-6-9-15-10-8-11-16(13-15)17(18,19)20/h12-13,15-19H,6-11,14H2,1-5H3;13-17H,6-12H2,1-5H3,(H,22,23);11-12,14H,5-10,13H2,1-4H3;12-14H,5-11H2,1-4H3;10-11,13,15-16H,4-9,12,14H2,1-3H3;10-13,15H,4-9,14H2,1-3H3;9-12,14-15H,3-8,13H2,1-2H3;8,10-11,13-14H,3-7,9,12H2,1-2H3.

What are the key properties of 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene?

4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene has a molecular weight of 2888.32 g/mol, XLogP of 41.10, 74 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;2,3-dimethyl-1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;3-methyl-N-propan-2-yl-5-(7-propan-2-ylsulfonylheptyl)benzamide;7-methyl-6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;3-methyl-6-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1,4-benzodioxine;6-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;1-(7-propan-2-ylsulfonylheptyl)-3-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 158442745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).