5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol

C152H198F3N9O32S8 — CID 165079553

About 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol

5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol (PubChem CID 165079553) has the molecular formula C152H198F3N9O32S8 and a molecular weight of 2976.82 g/mol. Its IUPAC name is 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol.

Molecular Properties

• Compound Name: 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol
• PubChem CID: 165079553
• Molecular Formula: C152H198F3N9O32S8
• Molecular Weight: 2976.82 g/mol
• Exact Mass: 2974.19
• IUPAC Name: 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol
• SMILES: C=C(C)c1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1.C=Cc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)n1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)n1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(S(C)(=O)=O)c1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(S(N)(=O)=O)c1.C[C@H]1CCc2ccc(C(F)(F)F)cc2N1S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1
• InChI: InChI=1S/C27H35NO5S.C26H35NO6S2.C25H34N2O6S2.C25H34N2O5S.C25H32N2O5S.C24H28F3NO5S/c1-4-24-7-5-22-15-21(19(2)3)6-9-26(22)28(24)34(30,31)25-8-10-27(23(16-25)17-29)33-18-20-11-13-32-14-12-20;1-4-19-6-10-24-21(16-19)7-8-22(5-2)27(24)35(30,31)23-9-11-25(26(17-23)34(3,28)29)33-18-20-12-14-32-15-13-20;1-3-18-5-9-23-20(15-18)6-7-21(4-2)27(23)35(30,31)22-8-10-24(25(16-22)34(26,28)29)33-17-19-11-13-32-14-12-19;2*1-3-18-5-8-23-20(15-18)6-7-21(4-2)27(23)33(29,30)25-10-9-24(22(16-28)26-25)32-17-19-11-13-31-14-12-19;1-16-2-3-18-4-5-20(24(25,26)27)13-22(18)28(16)34(30,31)21-6-7-23(19(12-21)14-29)33-15-17-8-10-32-11-9-17/h6,8-10,15-16,20,24,29H,2,4-5,7,11-14,17-18H2,1,3H3;6,9-11,16-17,20,22H,4-5,7-8,12-15,18H2,1-3H3;5,8-10,15-16,19,21H,3-4,6-7,11-14,17H2,1-2H3,(H2,26,28,29);5,8-10,15,19,21,28H,3-4,6-7,11-14,16-17H2,1-2H3;3,5,8-10,15,19,21,28H,1,4,6-7,11-14,16-17H2,2H3;4-7,12-13,16-17,29H,2-3,8-11,14-15H2,1H3/t;;;;;16-/m.....0/s1
• InChIKey: UWVKMMQQOFABGV-VCOSEQDBSA-N
• XLogP: 25.27
• TPSA: 536.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 46
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2976.82
LogP ≤ 5	25.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol?

The IUPAC name of 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol (CID 165079553) is 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol.

What is the SMILES notation for 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol?

The canonical SMILES for 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol is C=C(C)c1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1.C=Cc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)n1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)n1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(S(C)(=O)=O)c1.CCc1ccc2c(c1)CCC(CC)N2S(=O)(=O)c1ccc(OCC2CCOCC2)c(S(N)(=O)=O)c1.C[C@H]1CCc2ccc(C(F)(F)F)cc2N1S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1.

What is the InChIKey of 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol?

The InChIKey is UWVKMMQQOFABGV-VCOSEQDBSA-N. The full InChI is InChI=1S/C27H35NO5S.C26H35NO6S2.C25H34N2O6S2.C25H34N2O5S.C25H32N2O5S.C24H28F3NO5S/c1-4-24-7-5-22-15-21(19(2)3)6-9-26(22)28(24)34(30,31)25-8-10-27(23(16-25)17-29)33-18-20-11-13-32-14-12-20;1-4-19-6-10-24-21(16-19)7-8-22(5-2)27(24)35(30,31)23-9-11-25(26(17-23)34(3,28)29)33-18-20-12-14-32-15-13-20;1-3-18-5-9-23-20(15-18)6-7-21(4-2)27(23)35(30,31)22-8-10-24(25(16-22)34(26,28)29)33-17-19-11-13-32-14-12-19;2*1-3-18-5-8-23-20(15-18)6-7-21(4-2)27(23)33(29,30)25-10-9-24(22(16-28)26-25)32-17-19-11-13-31-14-12-19;1-16-2-3-18-4-5-20(24(25,26)27)13-22(18)28(16)34(30,31)21-6-7-23(19(12-21)14-29)33-15-17-8-10-32-11-9-17/h6,8-10,15-16,20,24,29H,2,4-5,7,11-14,17-18H2,1,3H3;6,9-11,16-17,20,22H,4-5,7-8,12-15,18H2,1-3H3;5,8-10,15-16,19,21H,3-4,6-7,11-14,17H2,1-2H3,(H2,26,28,29);5,8-10,15,19,21,28H,3-4,6-7,11-14,16-17H2,1-2H3;3,5,8-10,15,19,21,28H,1,4,6-7,11-14,16-17H2,2H3;4-7,12-13,16-17,29H,2-3,8-11,14-15H2,1H3/t;;;;;16-/m.....0/s1.

What are the key properties of 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol?

5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol has a molecular weight of 2976.82 g/mol, XLogP of 25.27, 46 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzenesulfonamide;[6-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;2,6-diethyl-1-[3-methylsulfonyl-4-(oxan-4-ylmethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline;[6-[(6-ethenyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-(oxan-4-ylmethoxy)-2-pyridinyl]methanol;[5-[(2-ethyl-6-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol;[5-[[(2S)-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-(oxan-4-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 165079553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).