N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide

C137H111Br2F37N8O19S6 — CID 165021403

IUPACN-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCC(=O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CCC(=O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.NC1CCc2cc(Br)ccc21.Nc1cc(F)ccc1CC(=O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CO.O=C(O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=S(=O)(NC1CCc2cc(Br)ccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H21F7N2O3S.C22H19F6NO3S.C21H17F6NO4S.C21H17F6NO3S.C20H15F6NO4S.C17H12BrF6NO2S.C9H10BrN/c28-20-5-3-17(24(35)14-20)10-21(37)6-1-15-2-7-23-16(9-15)4-8-25(23)36-40(38,39)22-12-18(26(29,30)31)11-19(13-22)27(32,33)34;1-2-17(30)6-3-13-4-7-19-14(9-13)5-8-20(19)29-33(31,32)18-11-15(21(23,24)25)10-16(12-18)22(26,27)28;22-20(23,24)14-8-15(21(25,26)27)10-17(9-14)33(31,32)28-19-6-3-13-7-12(2-5-18(13)19)1-4-16(30)11-29;1-12(29)2-3-13-4-6-18-14(8-13)5-7-19(18)28-32(30,31)17-10-15(20(22,23)24)9-16(11-17)21(25,26)27;21-19(22,23)13-8-14(20(24,25)26)10-15(9-13)32(30,31)27-17-5-3-12-7-11(1-4-16(12)17)2-6-18(28)29;18-12-2-3-14-9(5-12)1-4-15(14)25-28(26,27)13-7-10(16(19,20)21)6-11(8-13)17(22,23)24;10-7-2-3-8-6(5-7)1-4-9(8)11/h1-3,5-7,9,11-14,25,36H,4,8,10,35H2;3-4,6-7,9-12,20,29H,2,5,8H2,1H3;1-2,4-5,7-10,19,28-29H,3,6,11H2;2-4,6,8-11,19,28H,5,7H2,1H3;1-2,4,6-10,17,27H,3,5H2,(H,28,29);2-3,5-8,15,25H,1,4H2;2-3,5,9H,1,4,11H2/b6-1+;6-3+;4-1+;3-2+;6-2+;;
InChIKeyLFFJJRVZCDHADA-LXBMMXQGSA-N
MW3228.57 g/mol
LogP34.11
Rot. Bonds32

About N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide

N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 165021403) has the molecular formula C137H111Br2F37N8O19S6 and a molecular weight of 3228.57 g/mol. Its IUPAC name is N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID165021403
Molecular FormulaC137H111Br2F37N8O19S6
Molecular Weight3228.57 g/mol
Exact Mass3224.41
IUPAC NameN-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESCC(=O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CCC(=O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.NC1CCc2cc(Br)ccc21.Nc1cc(F)ccc1CC(=O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CO.O=C(O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=S(=O)(NC1CCc2cc(Br)ccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H21F7N2O3S.C22H19F6NO3S.C21H17F6NO4S.C21H17F6NO3S.C20H15F6NO4S.C17H12BrF6NO2S.C9H10BrN/c28-20-5-3-17(24(35)14-20)10-21(37)6-1-15-2-7-23-16(9-15)4-8-25(23)36-40(38,39)22-12-18(26(29,30)31)11-19(13-22)27(32,33)34;1-2-17(30)6-3-13-4-7-19-14(9-13)5-8-20(19)29-33(31,32)18-11-15(21(23,24)25)10-16(12-18)22(26,27)28;22-20(23,24)14-8-15(21(25,26)27)10-17(9-14)33(31,32)28-19-6-3-13-7-12(2-5-18(13)19)1-4-16(30)11-29;1-12(29)2-3-13-4-6-18-14(8-13)5-7-19(18)28-32(30,31)17-10-15(20(22,23)24)9-16(11-17)21(25,26)27;21-19(22,23)13-8-14(20(24,25)26)10-15(9-13)32(30,31)27-17-5-3-12-7-11(1-4-16(12)17)2-6-18(28)29;18-12-2-3-14-9(5-12)1-4-15(14)25-28(26,27)13-7-10(16(19,20)21)6-11(8-13)17(22,23)24;10-7-2-3-8-6(5-7)1-4-9(8)11/h1-3,5-7,9,11-14,25,36H,4,8,10,35H2;3-4,6-7,9-12,20,29H,2,5,8H2,1H3;1-2,4-5,7-10,19,28-29H,3,6,11H2;2-4,6,8-11,19,28H,5,7H2,1H3;1-2,4,6-10,17,27H,3,5H2,(H,28,29);2-3,5-8,15,25H,1,4H2;2-3,5,9H,1,4,11H2/b6-1+;6-3+;4-1+;3-2+;6-2+;;
InChIKeyLFFJJRVZCDHADA-LXBMMXQGSA-N
XLogP34.11
TPSA454.87 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003228.57
LogP ≤ 534.11
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzenesulfonamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzenesulfonamide;4-methoxy-N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;(E)-3-[1-[(4-methoxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid
CID 165038939

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 165021403) is N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide is CC(=O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CCC(=O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.NC1CCc2cc(Br)ccc21.Nc1cc(F)ccc1CC(=O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CO.O=C(O)/C=C/c1ccc2c(c1)CCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=S(=O)(NC1CCc2cc(Br)ccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is LFFJJRVZCDHADA-LXBMMXQGSA-N. The full InChI is InChI=1S/C27H21F7N2O3S.C22H19F6NO3S.C21H17F6NO4S.C21H17F6NO3S.C20H15F6NO4S.C17H12BrF6NO2S.C9H10BrN/c28-20-5-3-17(24(35)14-20)10-21(37)6-1-15-2-7-23-16(9-15)4-8-25(23)36-40(38,39)22-12-18(26(29,30)31)11-19(13-22)27(32,33)34;1-2-17(30)6-3-13-4-7-19-14(9-13)5-8-20(19)29-33(31,32)18-11-15(21(23,24)25)10-16(12-18)22(26,27)28;22-20(23,24)14-8-15(21(25,26)27)10-17(9-14)33(31,32)28-19-6-3-13-7-12(2-5-18(13)19)1-4-16(30)11-29;1-12(29)2-3-13-4-6-18-14(8-13)5-7-19(18)28-32(30,31)17-10-15(20(22,23)24)9-16(11-17)21(25,26)27;21-19(22,23)13-8-14(20(24,25)26)10-15(9-13)32(30,31)27-17-5-3-12-7-11(1-4-16(12)17)2-6-18(28)29;18-12-2-3-14-9(5-12)1-4-15(14)25-28(26,27)13-7-10(16(19,20)21)6-11(8-13)17(22,23)24;10-7-2-3-8-6(5-7)1-4-9(8)11/h1-3,5-7,9,11-14,25,36H,4,8,10,35H2;3-4,6-7,9-12,20,29H,2,5,8H2,1H3;1-2,4-5,7-10,19,28-29H,3,6,11H2;2-4,6,8-11,19,28H,5,7H2,1H3;1-2,4,6-10,17,27H,3,5H2,(H,28,29);2-3,5-8,15,25H,1,4H2;2-3,5,9H,1,4,11H2/b6-1+;6-3+;4-1+;3-2+;6-2+;;.
What are the key properties of N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 3228.57 g/mol, XLogP of 34.11, 32 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 165021403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).