ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C196H207F27N32O38S9 — CID 158515249

IUPACethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CN.CNC(=O)CCC(=O)c1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1.CNC(=O)CCC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.CNC(=O)CCC(=O)c1cccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.CNC(=O)CCC(=O)c1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C(=O)CCC(=O)O)c2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)CCC(=O)O)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(C(=O)CCC(=O)O)c2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2C(=O)CCC(=O)O)cc1
InChIInChI=1S/4C21H19F3N4O4S.4C20H16F3N3O5S.C16H12F3N3O2S.5C2H6.CH5N.5CH4/c1-26-20(30)11-10-18(29)14-4-2-13(3-5-14)17-12-19(21(22,23)24)27-28(17)15-6-8-16(9-7-15)33(25,31)32;1-26-20(30)10-9-18(29)14-4-2-3-13(11-14)17-12-19(21(22,23)24)27-28(17)15-5-7-16(8-6-15)33(25,31)32;1-26-20(30)11-10-18(29)16-5-3-2-4-15(16)17-12-19(21(22,23)24)27-28(17)13-6-8-14(9-7-13)33(25,31)32;1-26-17(30)12-11-16(29)18-19(13-5-3-2-4-6-13)28(27-20(18)21(22,23)24)14-7-9-15(10-8-14)33(25,31)32;21-20(22,23)18-11-16(12-1-3-13(4-2-12)17(27)9-10-19(28)29)26(25-18)14-5-7-15(8-6-14)32(24,30)31;21-20(22,23)18-11-16(12-2-1-3-13(10-12)17(27)8-9-19(28)29)26(25-18)14-4-6-15(7-5-14)32(24,30)31;21-20(22,23)18-11-16(14-3-1-2-4-15(14)17(27)9-10-19(28)29)26(25-18)12-5-7-13(8-6-12)32(24,30)31;21-20(22,23)19-17(15(27)10-11-16(28)29)18(12-4-2-1-3-5-12)26(25-19)13-6-8-14(9-7-13)32(24,30)31;17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24;6*1-2;;;;;/h2-9,12H,10-11H2,1H3,(H,26,30)(H2,25,31,32);2-8,11-12H,9-10H2,1H3,(H,26,30)(H2,25,31,32);2-9,12H,10-11H2,1H3,(H,26,30)(H2,25,31,32);2-10H,11-12H2,1H3,(H,26,30)(H2,25,31,32);1-8,11H,9-10H2,(H,28,29)(H2,24,30,31);1-7,10-11H,8-9H2,(H,28,29)(H2,24,30,31);1-8,11H,9-10H2,(H,28,29)(H2,24,30,31);1-9H,10-11H2,(H,28,29)(H2,24,30,31);1-10H,(H2,20,23,24);5*1-2H3;2H2,1H3;5*1H4
InChIKeyHLNYGIUCGKWVMQ-UHFFFAOYSA-N
MW4420.55 g/mol
LogP35.76
Rot. Bonds59

About ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 158515249) has the molecular formula C196H207F27N32O38S9 and a molecular weight of 4420.55 g/mol. Its IUPAC name is ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Nameethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID158515249
Molecular FormulaC196H207F27N32O38S9
Molecular Weight4420.55 g/mol
Exact Mass4417.23
IUPAC Nameethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CN.CNC(=O)CCC(=O)c1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1.CNC(=O)CCC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.CNC(=O)CCC(=O)c1cccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.CNC(=O)CCC(=O)c1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C(=O)CCC(=O)O)c2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)CCC(=O)O)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(C(=O)CCC(=O)O)c2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2C(=O)CCC(=O)O)cc1
InChIInChI=1S/4C21H19F3N4O4S.4C20H16F3N3O5S.C16H12F3N3O2S.5C2H6.CH5N.5CH4/c1-26-20(30)11-10-18(29)14-4-2-13(3-5-14)17-12-19(21(22,23)24)27-28(17)15-6-8-16(9-7-15)33(25,31)32;1-26-20(30)10-9-18(29)14-4-2-3-13(11-14)17-12-19(21(22,23)24)27-28(17)15-5-7-16(8-6-15)33(25,31)32;1-26-20(30)11-10-18(29)16-5-3-2-4-15(16)17-12-19(21(22,23)24)27-28(17)13-6-8-14(9-7-13)33(25,31)32;1-26-17(30)12-11-16(29)18-19(13-5-3-2-4-6-13)28(27-20(18)21(22,23)24)14-7-9-15(10-8-14)33(25,31)32;21-20(22,23)18-11-16(12-1-3-13(4-2-12)17(27)9-10-19(28)29)26(25-18)14-5-7-15(8-6-14)32(24,30)31;21-20(22,23)18-11-16(12-2-1-3-13(10-12)17(27)8-9-19(28)29)26(25-18)14-4-6-15(7-5-14)32(24,30)31;21-20(22,23)18-11-16(14-3-1-2-4-15(14)17(27)9-10-19(28)29)26(25-18)12-5-7-13(8-6-12)32(24,30)31;21-20(22,23)19-17(15(27)10-11-16(28)29)18(12-4-2-1-3-5-12)26(25-19)13-6-8-14(9-7-13)32(24,30)31;17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24;6*1-2;;;;;/h2-9,12H,10-11H2,1H3,(H,26,30)(H2,25,31,32);2-8,11-12H,9-10H2,1H3,(H,26,30)(H2,25,31,32);2-9,12H,10-11H2,1H3,(H,26,30)(H2,25,31,32);2-10H,11-12H2,1H3,(H,26,30)(H2,25,31,32);1-8,11H,9-10H2,(H,28,29)(H2,24,30,31);1-7,10-11H,8-9H2,(H,28,29)(H2,24,30,31);1-8,11H,9-10H2,(H,28,29)(H2,24,30,31);1-9H,10-11H2,(H,28,29)(H2,24,30,31);1-10H,(H2,20,23,24);5*1-2H3;2H2,1H3;5*1H4
InChIKeyHLNYGIUCGKWVMQ-UHFFFAOYSA-N
XLogP35.76
TPSA1130.00 Ų
H-Bond Donors18
H-Bond Acceptors53
Rotatable Bonds59
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004420.55
LogP ≤ 535.76
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1053

Analyze ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]-N-propylbutanamide;4-oxo-N-propyl-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-N-propyl-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-N-propyl-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide
CID 157575772
Ethane;methanamine;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 158096197
Oxolane-2,5-dione;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propan-1-amine
CID 158351278
oxolane-2,5-dione;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]-N-propylbutanamide;4-oxo-N-propyl-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-N-propyl-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-N-propyl-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;propan-1-amine
CID 158732026
ethane;N-methyl-4-oxo-4-[2-phenyl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide
CID 160597360
ethane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide
CID 161553224

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 158515249) is ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is C.C.C.C.C.CC.CC.CC.CC.CC.CN.CNC(=O)CCC(=O)c1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1.CNC(=O)CCC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.CNC(=O)CCC(=O)c1cccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1.CNC(=O)CCC(=O)c1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C(=O)CCC(=O)O)c2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)CCC(=O)O)cc2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(C(=O)CCC(=O)O)c2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2C(=O)CCC(=O)O)cc1.
What is the InChIKey of ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is HLNYGIUCGKWVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H19F3N4O4S.4C20H16F3N3O5S.C16H12F3N3O2S.5C2H6.CH5N.5CH4/c1-26-20(30)11-10-18(29)14-4-2-13(3-5-14)17-12-19(21(22,23)24)27-28(17)15-6-8-16(9-7-15)33(25,31)32;1-26-20(30)10-9-18(29)14-4-2-3-13(11-14)17-12-19(21(22,23)24)27-28(17)15-5-7-16(8-6-15)33(25,31)32;1-26-20(30)11-10-18(29)16-5-3-2-4-15(16)17-12-19(21(22,23)24)27-28(17)13-6-8-14(9-7-13)33(25,31)32;1-26-17(30)12-11-16(29)18-19(13-5-3-2-4-6-13)28(27-20(18)21(22,23)24)14-7-9-15(10-8-14)33(25,31)32;21-20(22,23)18-11-16(12-1-3-13(4-2-12)17(27)9-10-19(28)29)26(25-18)14-5-7-15(8-6-14)32(24,30)31;21-20(22,23)18-11-16(12-2-1-3-13(10-12)17(27)8-9-19(28)29)26(25-18)14-4-6-15(7-5-14)32(24,30)31;21-20(22,23)18-11-16(14-3-1-2-4-15(14)17(27)9-10-19(28)29)26(25-18)12-5-7-13(8-6-12)32(24,30)31;21-20(22,23)19-17(15(27)10-11-16(28)29)18(12-4-2-1-3-5-12)26(25-19)13-6-8-14(9-7-13)32(24,30)31;17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24;6*1-2;;;;;/h2-9,12H,10-11H2,1H3,(H,26,30)(H2,25,31,32);2-8,11-12H,9-10H2,1H3,(H,26,30)(H2,25,31,32);2-9,12H,10-11H2,1H3,(H,26,30)(H2,25,31,32);2-10H,11-12H2,1H3,(H,26,30)(H2,25,31,32);1-8,11H,9-10H2,(H,28,29)(H2,24,30,31);1-7,10-11H,8-9H2,(H,28,29)(H2,24,30,31);1-8,11H,9-10H2,(H,28,29)(H2,24,30,31);1-9H,10-11H2,(H,28,29)(H2,24,30,31);1-10H,(H2,20,23,24);5*1-2H3;2H2,1H3;5*1H4.
What are the key properties of ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 4420.55 g/mol, XLogP of 35.76, 59 rotatable bonds, 18 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;methane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanoic acid;4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanoic acid;4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 158515249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).