N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide

C102H82F11N25O11S5 — CID 167535096

IUPACN-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide
SMILESCC(C)n1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.CN(C)C(=O)Cn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cccnc3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(CC(F)F)c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cncc(F)c1
InChIInChI=1S/C22H20F2N6O3S.C21H19F2N5O2S.C20H15F4N5O2S.C20H14F2N4O2S.C19H14FN5O2S/c1-29(2)22(31)13-30-12-14(11-25-30)3-5-20-19-10-17(4-6-21(19)27-26-20)28-34(32,33)18-8-15(23)7-16(24)9-18;1-13(2)28-12-14(11-24-28)3-5-20-19-10-17(4-6-21(19)26-25-20)27-31(29,30)18-8-15(22)7-16(23)9-18;21-13-5-14(22)7-16(6-13)32(30,31)28-15-2-4-19-17(8-15)18(26-27-19)3-1-12-9-25-29(10-12)11-20(23)24;21-14-8-15(22)10-17(9-14)29(27,28)26-16-4-6-20-18(11-16)19(24-25-20)5-3-13-2-1-7-23-12-13;20-13-9-16(12-21-11-13)28(26,27)25-15-5-7-19-17(10-15)18(23-24-19)6-4-14-3-1-2-8-22-14/h3-12,28H,13H2,1-2H3,(H,26,27);3-13,27H,1-2H3,(H,25,26);1-10,20,28H,11H2,(H,26,27);1-12,26H,(H,24,25);1-12,25H,(H,23,24)/b2*5-3+;3-1+;5-3+;6-4+
InChIKeyALPLBIGVFRLVRG-WJLLCZEUSA-N
MW2203.25 g/mol
LogP19.63
Rot. Bonds30

About N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide

N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide (PubChem CID 167535096) has the molecular formula C102H82F11N25O11S5 and a molecular weight of 2203.25 g/mol. Its IUPAC name is N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide
PubChem CID167535096
Molecular FormulaC102H82F11N25O11S5
Molecular Weight2203.25 g/mol
Exact Mass2201.51
IUPAC NameN-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide
SMILESCC(C)n1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.CN(C)C(=O)Cn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cccnc3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(CC(F)F)c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cncc(F)c1
InChIInChI=1S/C22H20F2N6O3S.C21H19F2N5O2S.C20H15F4N5O2S.C20H14F2N4O2S.C19H14FN5O2S/c1-29(2)22(31)13-30-12-14(11-25-30)3-5-20-19-10-17(4-6-21(19)27-26-20)28-34(32,33)18-8-15(23)7-16(24)9-18;1-13(2)28-12-14(11-24-28)3-5-20-19-10-17(4-6-21(19)26-25-20)27-31(29,30)18-8-15(22)7-16(23)9-18;21-13-5-14(22)7-16(6-13)32(30,31)28-15-2-4-19-17(8-15)18(26-27-19)3-1-12-9-25-29(10-12)11-20(23)24;21-14-8-15(22)10-17(9-14)29(27,28)26-16-4-6-20-18(11-16)19(24-25-20)5-3-13-2-1-7-23-12-13;20-13-9-16(12-21-11-13)28(26,27)25-15-5-7-19-17(10-15)18(23-24-19)6-4-14-3-1-2-8-22-14/h3-12,28H,13H2,1-2H3,(H,26,27);3-13,27H,1-2H3,(H,25,26);1-10,20,28H,11H2,(H,26,27);1-12,26H,(H,24,25);1-12,25H,(H,23,24)/b2*5-3+;3-1+;5-3+;6-4+
InChIKeyALPLBIGVFRLVRG-WJLLCZEUSA-N
XLogP19.63
TPSA486.69 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002203.25
LogP ≤ 519.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide (CID 167535096) is N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide is CC(C)n1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.CN(C)C(=O)Cn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cccnc3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(CC(F)F)c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2n[nH]c(/C=C/c3ccccn3)c2c1)c1cncc(F)c1.
What is the InChIKey of N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide?
The InChIKey is ALPLBIGVFRLVRG-WJLLCZEUSA-N. The full InChI is InChI=1S/C22H20F2N6O3S.C21H19F2N5O2S.C20H15F4N5O2S.C20H14F2N4O2S.C19H14FN5O2S/c1-29(2)22(31)13-30-12-14(11-25-30)3-5-20-19-10-17(4-6-21(19)27-26-20)28-34(32,33)18-8-15(23)7-16(24)9-18;1-13(2)28-12-14(11-24-28)3-5-20-19-10-17(4-6-21(19)26-25-20)27-31(29,30)18-8-15(22)7-16(23)9-18;21-13-5-14(22)7-16(6-13)32(30,31)28-15-2-4-19-17(8-15)18(26-27-19)3-1-12-9-25-29(10-12)11-20(23)24;21-14-8-15(22)10-17(9-14)29(27,28)26-16-4-6-20-18(11-16)19(24-25-20)5-3-13-2-1-7-23-12-13;20-13-9-16(12-21-11-13)28(26,27)25-15-5-7-19-17(10-15)18(23-24-19)6-4-14-3-1-2-8-22-14/h3-12,28H,13H2,1-2H3,(H,26,27);3-13,27H,1-2H3,(H,25,26);1-10,20,28H,11H2,(H,26,27);1-12,26H,(H,24,25);1-12,25H,(H,23,24)/b2*5-3+;3-1+;5-3+;6-4+.
What are the key properties of N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide?
N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide has a molecular weight of 2203.25 g/mol, XLogP of 19.63, 30 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N,N-dimethylacetamide;3,5-difluoro-N-[3-[(E)-2-(1-propan-2-ylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;3,5-difluoro-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]benzenesulfonamide;5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 167535096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).