4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone

C147H132N16O7S — CID 158916596

IUPAC4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone
SMILESC(=C/c1n[nH]c2ccccc12)\c1ccccc1.CC(=O)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.CCCCC(=O)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.CN(C)CCc1ccc(/C=C/c2n[nH]c3ccccc23)cc1.O=C(CCS(=O)(=O)c1ccccc1)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.O=C(Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)Cc1c[nH]c2ccccc12.O=C(Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C26H21N3O.C25H22N2O3S.C23H18N2O.C21H22N2O.C19H21N3.C18H16N2O.C15H12N2/c30-21(16-20-17-27-24-9-5-4-8-22(20)24)14-19-11-13-26-23(15-19)25(28-29-26)12-10-18-6-2-1-3-7-18;28-21(15-16-31(29,30)22-9-5-2-6-10-22)17-20-12-14-25-23(18-20)24(26-27-25)13-11-19-7-3-1-4-8-19;26-23(19-9-5-2-6-10-19)16-18-12-14-22-20(15-18)21(24-25-22)13-11-17-7-3-1-4-8-17;1-2-3-9-18(24)14-17-11-13-21-19(15-17)20(22-23-21)12-10-16-7-5-4-6-8-16;1-22(2)14-13-16-9-7-15(8-10-16)11-12-19-17-5-3-4-6-18(17)20-21-19;1-13(21)11-15-8-10-18-16(12-15)17(19-20-18)9-7-14-5-3-2-4-6-14;1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-13,15,17,27H,14,16H2,(H,28,29);1-14,18H,15-17H2,(H,26,27);1-15H,16H2,(H,24,25);4-8,10-13,15H,2-3,9,14H2,1H3,(H,22,23);3-12H,13-14H2,1-2H3,(H,20,21);2-10,12H,11H2,1H3,(H,19,20);1-11H,(H,16,17)/b12-10+;2*13-11+;12-10+;12-11+;9-7+;11-10+
InChIKeyJHHODLJFSANBHB-KYHKHIFHSA-N
MW2266.84 g/mol
LogP31.91
Rot. Bonds37

About 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone

4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone (PubChem CID 158916596) has the molecular formula C147H132N16O7S and a molecular weight of 2266.84 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone
PubChem CID158916596
Molecular FormulaC147H132N16O7S
Molecular Weight2266.84 g/mol
Exact Mass2265.02
IUPAC Name4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone
SMILESC(=C/c1n[nH]c2ccccc12)\c1ccccc1.CC(=O)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.CCCCC(=O)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.CN(C)CCc1ccc(/C=C/c2n[nH]c3ccccc23)cc1.O=C(CCS(=O)(=O)c1ccccc1)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.O=C(Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)Cc1c[nH]c2ccccc12.O=C(Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C26H21N3O.C25H22N2O3S.C23H18N2O.C21H22N2O.C19H21N3.C18H16N2O.C15H12N2/c30-21(16-20-17-27-24-9-5-4-8-22(20)24)14-19-11-13-26-23(15-19)25(28-29-26)12-10-18-6-2-1-3-7-18;28-21(15-16-31(29,30)22-9-5-2-6-10-22)17-20-12-14-25-23(18-20)24(26-27-25)13-11-19-7-3-1-4-8-19;26-23(19-9-5-2-6-10-19)16-18-12-14-22-20(15-18)21(24-25-22)13-11-17-7-3-1-4-8-17;1-2-3-9-18(24)14-17-11-13-21-19(15-17)20(22-23-21)12-10-16-7-5-4-6-8-16;1-22(2)14-13-16-9-7-15(8-10-16)11-12-19-17-5-3-4-6-18(17)20-21-19;1-13(21)11-15-8-10-18-16(12-15)17(19-20-18)9-7-14-5-3-2-4-6-14;1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-13,15,17,27H,14,16H2,(H,28,29);1-14,18H,15-17H2,(H,26,27);1-15H,16H2,(H,24,25);4-8,10-13,15H,2-3,9,14H2,1H3,(H,22,23);3-12H,13-14H2,1-2H3,(H,20,21);2-10,12H,11H2,1H3,(H,19,20);1-11H,(H,16,17)/b12-10+;2*13-11+;12-10+;12-11+;9-7+;11-10+
InChIKeyJHHODLJFSANBHB-KYHKHIFHSA-N
XLogP31.91
TPSA339.28 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds37
Heavy Atoms171
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002266.84
LogP ≤ 531.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone?
The IUPAC name of 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone (CID 158916596) is 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone.
What is the SMILES notation for 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone?
The canonical SMILES for 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone is C(=C/c1n[nH]c2ccccc12)\c1ccccc1.CC(=O)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.CCCCC(=O)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.CN(C)CCc1ccc(/C=C/c2n[nH]c3ccccc23)cc1.O=C(CCS(=O)(=O)c1ccccc1)Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1.O=C(Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)Cc1c[nH]c2ccccc12.O=C(Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone?
The InChIKey is JHHODLJFSANBHB-KYHKHIFHSA-N. The full InChI is InChI=1S/C26H21N3O.C25H22N2O3S.C23H18N2O.C21H22N2O.C19H21N3.C18H16N2O.C15H12N2/c30-21(16-20-17-27-24-9-5-4-8-22(20)24)14-19-11-13-26-23(15-19)25(28-29-26)12-10-18-6-2-1-3-7-18;28-21(15-16-31(29,30)22-9-5-2-6-10-22)17-20-12-14-25-23(18-20)24(26-27-25)13-11-19-7-3-1-4-8-19;26-23(19-9-5-2-6-10-19)16-18-12-14-22-20(15-18)21(24-25-22)13-11-17-7-3-1-4-8-17;1-2-3-9-18(24)14-17-11-13-21-19(15-17)20(22-23-21)12-10-16-7-5-4-6-8-16;1-22(2)14-13-16-9-7-15(8-10-16)11-12-19-17-5-3-4-6-18(17)20-21-19;1-13(21)11-15-8-10-18-16(12-15)17(19-20-18)9-7-14-5-3-2-4-6-14;1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-13,15,17,27H,14,16H2,(H,28,29);1-14,18H,15-17H2,(H,26,27);1-15H,16H2,(H,24,25);4-8,10-13,15H,2-3,9,14H2,1H3,(H,22,23);3-12H,13-14H2,1-2H3,(H,20,21);2-10,12H,11H2,1H3,(H,19,20);1-11H,(H,16,17)/b12-10+;2*13-11+;12-10+;12-11+;9-7+;11-10+.
What are the key properties of 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone?
4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone has a molecular weight of 2266.84 g/mol, XLogP of 31.91, 37 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]butan-2-one;2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone is sourced from PubChem (CID 158916596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).