N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide

C101H75F12N25O11S5 — CID 167567569

IUPACN-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide
SMILESCC(=O)n1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.N#CCn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(C4CC4)c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(CC(F)(F)F)c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cccc(F)c1
InChIInChI=1S/C21H17F2N5O2S.C20H14F5N5O2S.C20H14F2N6O2S.C20H15F2N5O3S.C20H15FN4O2S/c22-14-7-15(23)9-18(8-14)31(29,30)27-16-2-6-21-19(10-16)20(25-26-21)5-1-13-11-24-28(12-13)17-3-4-17;21-13-5-14(22)7-16(6-13)33(31,32)29-15-2-4-19-17(8-15)18(27-28-19)3-1-12-9-26-30(10-12)11-20(23,24)25;21-14-7-15(22)9-17(8-14)31(29,30)27-16-2-4-20-18(10-16)19(25-26-20)3-1-13-11-24-28(12-13)6-5-23;1-12(28)27-11-13(10-23-27)2-4-19-18-9-16(3-5-20(18)25-24-19)26-31(29,30)17-7-14(21)6-15(22)8-17;21-14-4-3-6-17(12-14)28(26,27)25-16-8-10-20-18(13-16)19(23-24-20)9-7-15-5-1-2-11-22-15/h1-2,5-12,17,27H,3-4H2,(H,25,26);1-10,29H,11H2,(H,27,28);1-4,7-12,27H,6H2,(H,25,26);2-11,26H,1H3,(H,24,25);1-13,25H,(H,23,24)/b5-1+;2*3-1+;4-2+;9-7+
InChIKeyFMFMLYHYRGUAAB-CXNGYBSMSA-N
MW2203.19 g/mol
LogP20.18
Rot. Bonds28

About N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide

N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide (PubChem CID 167567569) has the molecular formula C101H75F12N25O11S5 and a molecular weight of 2203.19 g/mol. Its IUPAC name is N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide
PubChem CID167567569
Molecular FormulaC101H75F12N25O11S5
Molecular Weight2203.19 g/mol
Exact Mass2201.45
IUPAC NameN-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide
SMILESCC(=O)n1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.N#CCn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(C4CC4)c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(CC(F)(F)F)c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cccc(F)c1
InChIInChI=1S/C21H17F2N5O2S.C20H14F5N5O2S.C20H14F2N6O2S.C20H15F2N5O3S.C20H15FN4O2S/c22-14-7-15(23)9-18(8-14)31(29,30)27-16-2-6-21-19(10-16)20(25-26-21)5-1-13-11-24-28(12-13)17-3-4-17;21-13-5-14(22)7-16(6-13)33(31,32)29-15-2-4-19-17(8-15)18(27-28-19)3-1-12-9-26-30(10-12)11-20(23,24)25;21-14-7-15(22)9-17(8-14)31(29,30)27-16-2-4-20-18(10-16)19(25-26-20)3-1-13-11-24-28(12-13)6-5-23;1-12(28)27-11-13(10-23-27)2-4-19-18-9-16(3-5-20(18)25-24-19)26-31(29,30)17-7-14(21)6-15(22)8-17;21-14-4-3-6-17(12-14)28(26,27)25-16-8-10-20-18(13-16)19(23-24-20)9-7-15-5-1-2-11-22-15/h1-2,5-12,17,27H,3-4H2,(H,25,26);1-10,29H,11H2,(H,27,28);1-4,7-12,27H,6H2,(H,25,26);2-11,26H,1H3,(H,24,25);1-13,25H,(H,23,24)/b5-1+;2*3-1+;4-2+;9-7+
InChIKeyFMFMLYHYRGUAAB-CXNGYBSMSA-N
XLogP20.18
TPSA499.28 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms154
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002203.19
LogP ≤ 520.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide (CID 167567569) is N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide is CC(=O)n1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.N#CCn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(C4CC4)c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(CC(F)(F)F)c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cccc(F)c1.
What is the InChIKey of N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide?
The InChIKey is FMFMLYHYRGUAAB-CXNGYBSMSA-N. The full InChI is InChI=1S/C21H17F2N5O2S.C20H14F5N5O2S.C20H14F2N6O2S.C20H15F2N5O3S.C20H15FN4O2S/c22-14-7-15(23)9-18(8-14)31(29,30)27-16-2-6-21-19(10-16)20(25-26-21)5-1-13-11-24-28(12-13)17-3-4-17;21-13-5-14(22)7-16(6-13)33(31,32)29-15-2-4-19-17(8-15)18(27-28-19)3-1-12-9-26-30(10-12)11-20(23,24)25;21-14-7-15(22)9-17(8-14)31(29,30)27-16-2-4-20-18(10-16)19(25-26-20)3-1-13-11-24-28(12-13)6-5-23;1-12(28)27-11-13(10-23-27)2-4-19-18-9-16(3-5-20(18)25-24-19)26-31(29,30)17-7-14(21)6-15(22)8-17;21-14-4-3-6-17(12-14)28(26,27)25-16-8-10-20-18(13-16)19(23-24-20)9-7-15-5-1-2-11-22-15/h1-2,5-12,17,27H,3-4H2,(H,25,26);1-10,29H,11H2,(H,27,28);1-4,7-12,27H,6H2,(H,25,26);2-11,26H,1H3,(H,24,25);1-13,25H,(H,23,24)/b5-1+;2*3-1+;4-2+;9-7+.
What are the key properties of N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide?
N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide has a molecular weight of 2203.19 g/mol, XLogP of 20.18, 28 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-(1-acetylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-[1-(cyanomethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 167567569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).