4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene

C167H256F3N5O26S12 — CID 161320918

About 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene

4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene (PubChem CID 161320918) has the molecular formula C167H256F3N5O26S12 and a molecular weight of 3191.69 g/mol. Its IUPAC name is 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene.

Molecular Properties

• Compound Name: 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene
• PubChem CID: 161320918
• Molecular Formula: C167H256F3N5O26S12
• Molecular Weight: 3191.69 g/mol
• Exact Mass: 3188.55
• IUPAC Name: 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene
• SMILES: CC(C)NC(=O)c1cccc(CCCCCCCS(=O)(=O)C(C)C)c1.CC(C)S(=O)(=O)CCCCCC(=O)CCCc1ccc(S(N)(=O)=O)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(C(F)(F)F)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(Cc2ccncc2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc2c(c1)CCC2.CC(C)S(=O)(=O)CCCCCCCc1ccc2ncsc2c1.CC(C)S(=O)(=O)CCCCCCCc1ccc2ocnc2c1.CC(C)S(=O)(=O)CCCCCCCc1ccc2sccc2c1.COc1cc(CCCCCCCS(=O)(=O)C(C)C)cc(OC)c1OC
• InChI: InChI=1S/C22H31NO2S.C20H33NO3S.C19H32O5S.C19H30O2S.C18H29NO5S2.C18H26O2S2.C17H25F3O2S.C17H25NO3S.C17H25NO2S2/c1-19(2)26(24,25)17-7-5-3-4-6-8-20-9-11-21(12-10-20)18-22-13-15-23-16-14-22;1-16(2)21-20(22)19-13-10-12-18(15-19)11-8-6-5-7-9-14-25(23,24)17(3)4;1-15(2)25(20,21)12-10-8-6-7-9-11-16-13-17(22-3)19(24-5)18(14-16)23-4;1-16(2)22(20,21)14-7-5-3-4-6-9-17-12-13-18-10-8-11-19(18)15-17;1-15(2)25(21,22)14-5-3-4-8-17(20)9-6-7-16-10-12-18(13-11-16)26(19,23)24;1-15(2)22(19,20)13-7-5-3-4-6-8-16-9-10-18-17(14-16)11-12-21-18;1-14(2)23(21,22)13-7-5-3-4-6-8-15-9-11-16(12-10-15)17(18,19)20;1-14(2)22(19,20)11-7-5-3-4-6-8-15-9-10-17-16(12-15)18-13-21-17;1-14(2)22(19,20)11-7-5-3-4-6-8-15-9-10-16-17(12-15)21-13-18-16/h9-16,19H,3-8,17-18H2,1-2H3;10,12-13,15-17H,5-9,11,14H2,1-4H3,(H,21,22);13-15H,6-12H2,1-5H3;12-13,15-16H,3-11,14H2,1-2H3;10-13,15H,3-9,14H2,1-2H3,(H2,19,23,24);9-12,14-15H,3-8,13H2,1-2H3;9-12,14H,3-8,13H2,1-2H3;2*9-10,12-14H,3-8,11H2,1-2H3
• InChIKey: VKDBYZLFRGEJOQ-UHFFFAOYSA-N
• XLogP: 39.25
• TPSA: 493.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 91
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3191.69
LogP ≤ 5	39.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene?

The IUPAC name of 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene (CID 161320918) is 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene.

What is the SMILES notation for 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene?

The canonical SMILES for 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene is CC(C)NC(=O)c1cccc(CCCCCCCS(=O)(=O)C(C)C)c1.CC(C)S(=O)(=O)CCCCCC(=O)CCCc1ccc(S(N)(=O)=O)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(C(F)(F)F)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(Cc2ccncc2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc2c(c1)CCC2.CC(C)S(=O)(=O)CCCCCCCc1ccc2ncsc2c1.CC(C)S(=O)(=O)CCCCCCCc1ccc2ocnc2c1.CC(C)S(=O)(=O)CCCCCCCc1ccc2sccc2c1.COc1cc(CCCCCCCS(=O)(=O)C(C)C)cc(OC)c1OC.

What is the InChIKey of 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene?

The InChIKey is VKDBYZLFRGEJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2S.C20H33NO3S.C19H32O5S.C19H30O2S.C18H29NO5S2.C18H26O2S2.C17H25F3O2S.C17H25NO3S.C17H25NO2S2/c1-19(2)26(24,25)17-7-5-3-4-6-8-20-9-11-21(12-10-20)18-22-13-15-23-16-14-22;1-16(2)21-20(22)19-13-10-12-18(15-19)11-8-6-5-7-9-14-25(23,24)17(3)4;1-15(2)25(20,21)12-10-8-6-7-9-11-16-13-17(22-3)19(24-5)18(14-16)23-4;1-16(2)22(20,21)14-7-5-3-4-6-9-17-12-13-18-10-8-11-19(18)15-17;1-15(2)25(21,22)14-5-3-4-8-17(20)9-6-7-16-10-12-18(13-11-16)26(19,23)24;1-15(2)22(19,20)13-7-5-3-4-6-8-16-9-10-18-17(14-16)11-12-21-18;1-14(2)23(21,22)13-7-5-3-4-6-8-15-9-11-16(12-10-15)17(18,19)20;1-14(2)22(19,20)11-7-5-3-4-6-8-15-9-10-17-16(12-15)18-13-21-17;1-14(2)22(19,20)11-7-5-3-4-6-8-15-9-10-16-17(12-15)21-13-18-16/h9-16,19H,3-8,17-18H2,1-2H3;10,12-13,15-17H,5-9,11,14H2,1-4H3,(H,21,22);13-15H,6-12H2,1-5H3;12-13,15-16H,3-11,14H2,1-2H3;10-13,15H,3-9,14H2,1-2H3,(H2,19,23,24);9-12,14-15H,3-8,13H2,1-2H3;9-12,14H,3-8,13H2,1-2H3;2*9-10,12-14H,3-8,11H2,1-2H3.

What are the key properties of 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene?

4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene has a molecular weight of 3191.69 g/mol, XLogP of 39.25, 91 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-oxo-9-propan-2-ylsulfonylnonyl)benzenesulfonamide;N-propan-2-yl-3-(7-propan-2-ylsulfonylheptyl)benzamide;6-(7-propan-2-ylsulfonylheptyl)-1,3-benzothiazole;5-(7-propan-2-ylsulfonylheptyl)-1-benzothiophene;5-(7-propan-2-ylsulfonylheptyl)-1,3-benzoxazole;5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene;4-[[4-(7-propan-2-ylsulfonylheptyl)phenyl]methyl]pyridine;1-(7-propan-2-ylsulfonylheptyl)-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-(7-propan-2-ylsulfonylheptyl)benzene is sourced from PubChem (CID 161320918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).