N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide)

C146H160Cl3F9N22O13S9 — CID 157154783

IUPACN-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide)
SMILESCC(C)CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncnc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc23)cc1C(F)(F)F.CC(C)N1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)Nc3ncnc4cc(N5CCN(Cc6ccccc6-c6ccc(Cl)cc6)CC5)ccc34)cc2C(F)(F)F)CC1.CC(C)OC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)Nc3ncnc4cc(N5CCN(Cc6ccccc6-c6ccc(Cl)cc6)CC5)ccc34)cc2C(F)(F)F)CC1.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C50H55ClF3N7O3S2.C49H54ClF3N8O2S2.C47H51ClF3N7O2S2.3O2S/c1-35(2)64-41-21-24-59(25-22-41)23-20-39(33-65-42-9-4-3-5-10-42)57-47-19-17-43(31-46(47)50(52,53)54)66(62,63)58-49-45-18-16-40(30-48(45)55-34-56-49)61-28-26-60(27-29-61)32-37-8-6-7-11-44(37)36-12-14-38(51)15-13-36;1-35(2)60-26-22-58(23-27-60)21-20-39(33-64-41-9-4-3-5-10-41)56-46-19-17-42(31-45(46)49(51,52)53)65(62,63)57-48-44-18-16-40(30-47(44)54-34-55-48)61-28-24-59(25-29-61)32-37-8-6-7-11-43(37)36-12-14-38(50)15-13-36;1-33(2)29-56(3)22-21-37(31-61-39-10-5-4-6-11-39)54-44-20-18-40(28-43(44)47(49,50)51)62(59,60)55-46-42-19-17-38(27-45(42)52-32-53-46)58-25-23-57(24-26-58)30-35-9-7-8-12-41(35)34-13-15-36(48)16-14-34;3*1-3-2/h3-19,30-31,34-35,39,41,57H,20-29,32-33H2,1-2H3,(H,55,56,58);3-19,30-31,34-35,39,56H,20-29,32-33H2,1-2H3,(H,54,55,57);4-20,27-28,32-33,37,54H,21-26,29-31H2,1-3H3,(H,52,53,55);;;/t2*39-;37-;;;/m111.../s1
InChIKeyALRJUQFQYFNVTI-BPJOKNAUSA-N
MW2996.97 g/mol
LogP29.66
Rot. Bonds50

About N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide)

N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide) (PubChem CID 157154783) has the molecular formula C146H160Cl3F9N22O13S9 and a molecular weight of 2996.97 g/mol. Its IUPAC name is N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide).

Molecular Properties

Compound NameN-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide)
PubChem CID157154783
Molecular FormulaC146H160Cl3F9N22O13S9
Molecular Weight2996.97 g/mol
Exact Mass2992.89
IUPAC NameN-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide)
SMILESCC(C)CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncnc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc23)cc1C(F)(F)F.CC(C)N1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)Nc3ncnc4cc(N5CCN(Cc6ccccc6-c6ccc(Cl)cc6)CC5)ccc34)cc2C(F)(F)F)CC1.CC(C)OC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)Nc3ncnc4cc(N5CCN(Cc6ccccc6-c6ccc(Cl)cc6)CC5)ccc34)cc2C(F)(F)F)CC1.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C50H55ClF3N7O3S2.C49H54ClF3N8O2S2.C47H51ClF3N7O2S2.3O2S/c1-35(2)64-41-21-24-59(25-22-41)23-20-39(33-65-42-9-4-3-5-10-42)57-47-19-17-43(31-46(47)50(52,53)54)66(62,63)58-49-45-18-16-40(30-48(45)55-34-56-49)61-28-26-60(27-29-61)32-37-8-6-7-11-44(37)36-12-14-38(51)15-13-36;1-35(2)60-26-22-58(23-27-60)21-20-39(33-64-41-9-4-3-5-10-41)56-46-19-17-42(31-45(46)49(51,52)53)65(62,63)57-48-44-18-16-40(30-47(44)54-34-55-48)61-28-24-59(25-29-61)32-37-8-6-7-11-43(37)36-12-14-38(50)15-13-36;1-33(2)29-56(3)22-21-37(31-61-39-10-5-4-6-11-39)54-44-20-18-40(28-43(44)47(49,50)51)62(59,60)55-46-42-19-17-38(27-45(42)52-32-53-46)58-25-23-57(24-26-58)30-35-9-7-8-12-41(35)34-13-15-36(48)16-14-34;3*1-3-2/h3-19,30-31,34-35,39,41,57H,20-29,32-33H2,1-2H3,(H,55,56,58);3-19,30-31,34-35,39,56H,20-29,32-33H2,1-2H3,(H,54,55,57);4-20,27-28,32-33,37,54H,21-26,29-31H2,1-3H3,(H,52,53,55);;;/t2*39-;37-;;;/m111.../s1
InChIKeyALRJUQFQYFNVTI-BPJOKNAUSA-N
XLogP29.66
TPSA395.99 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds50
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002996.97
LogP ≤ 529.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide) with MolForge

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Related Compounds

N-{7-[4-(4''-Chloro-biphenyl-2-ylmethyl)piperazin-1-yl]quinazolin-4-yl}-4-((R)-3-dimethylamino-1-phenylsulfanylmethyl-propylamino)-3-trifluoromethanesulfonyl-benzenesulfonamide
CID 51354615
N-{7-[4-(4''-Chloro-biphenyl-2-ylmethyl)piperazin-1-yl]quinazolin-4-yl}-4-((R)-3-morpholin-4-yl-1-phenylsulfanylmethyl-propylamino)-3-trifluoromethanesulfonyl-benzenesulfonamide
CID 51354616
N-(7-{4-[2-(4-Chloro-phenyl)-5,5-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}quinazolin-4-yl)-4-((R)-3-morpholin-4-yl-1-phenylsulfanylmethylpropylamino)-3-trifluoromethanesulfonyl-benzenesulfonamide
CID 51355193
N-[7-[4-[(5-chloro-2-phenylphenyl)methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 66909393
N-[7-[4-[(5-chloro-2-phenylphenyl)methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 66909395
N-[7-[4-[(5-chloro-2-phenylphenyl)methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-2,5-difluorobenzenesulfonamide
CID 66909498
N-[7-[4-[(5-chloro-2-phenylphenyl)methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-2,5-difluorobenzenesulfonamide
CID 66909500
N-[7-[4-[(5-chloro-2-phenylphenyl)methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-(dimethylamino)-1-thiophen-2-ylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 66909549
N-[7-[4-[(5-chloro-2-phenylphenyl)methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[4-(dimethylamino)-1-thiophen-2-ylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 66909550
N-[7-[4-[(5-chloro-2-phenylphenyl)methyl]piperazin-1-yl]-5-fluoroquinazolin-4-yl]-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 66909559
N-[7-[4-[(5-chloro-2-phenylphenyl)methyl]piperazin-1-yl]-5-fluoroquinazolin-4-yl]-4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 66909561
N-[7-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 66909593

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide)?
The IUPAC name of N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide) (CID 157154783) is N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide).
What is the SMILES notation for N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide)?
The canonical SMILES for N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide) is CC(C)CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncnc3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc23)cc1C(F)(F)F.CC(C)N1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)Nc3ncnc4cc(N5CCN(Cc6ccccc6-c6ccc(Cl)cc6)CC5)ccc34)cc2C(F)(F)F)CC1.CC(C)OC1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)Nc3ncnc4cc(N5CCN(Cc6ccccc6-c6ccc(Cl)cc6)CC5)ccc34)cc2C(F)(F)F)CC1.O=S=O.O=S=O.O=S=O.
What is the InChIKey of N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide)?
The InChIKey is ALRJUQFQYFNVTI-BPJOKNAUSA-N. The full InChI is InChI=1S/C50H55ClF3N7O3S2.C49H54ClF3N8O2S2.C47H51ClF3N7O2S2.3O2S/c1-35(2)64-41-21-24-59(25-22-41)23-20-39(33-65-42-9-4-3-5-10-42)57-47-19-17-43(31-46(47)50(52,53)54)66(62,63)58-49-45-18-16-40(30-48(45)55-34-56-49)61-28-26-60(27-29-61)32-37-8-6-7-11-44(37)36-12-14-38(51)15-13-36;1-35(2)60-26-22-58(23-27-60)21-20-39(33-64-41-9-4-3-5-10-41)56-46-19-17-42(31-45(46)49(51,52)53)65(62,63)57-48-44-18-16-40(30-47(44)54-34-55-48)61-28-24-59(25-29-61)32-37-8-6-7-11-43(37)36-12-14-38(50)15-13-36;1-33(2)29-56(3)22-21-37(31-61-39-10-5-4-6-11-39)54-44-20-18-40(28-43(44)47(49,50)51)62(59,60)55-46-42-19-17-38(27-45(42)52-32-53-46)58-25-23-57(24-26-58)30-35-9-7-8-12-41(35)34-13-15-36(48)16-14-34;3*1-3-2/h3-19,30-31,34-35,39,41,57H,20-29,32-33H2,1-2H3,(H,55,56,58);3-19,30-31,34-35,39,56H,20-29,32-33H2,1-2H3,(H,54,55,57);4-20,27-28,32-33,37,54H,21-26,29-31H2,1-3H3,(H,52,53,55);;;/t2*39-;37-;;;/m111.../s1.
What are the key properties of N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide)?
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide) has a molecular weight of 2996.97 g/mol, XLogP of 29.66, 50 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-[methyl(2-methylpropyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-yloxypiperidin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-1-phenylsulfanyl-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide;tris(sulfur dioxide) is sourced from PubChem (CID 157154783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).