2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide

C21H18F2N6O3S — CID 156734170

IUPAC2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1
InChIInChI=1S/C21H18F2N6O3S/c1-24-21(30)12-29-11-13(10-25-29)2-4-19-18-9-16(3-5-20(18)27-26-19)28-33(31,32)17-7-14(22)6-15(23)8-17/h2-11,28H,12H2,1H3,(H,24,30)(H,26,27)/b4-2+
InChIKeyOKXSJDVBSKGVKR-DUXPYHPUSA-N
MW472.48 g/mol
LogP2.75
Rot. Bonds7

About 2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide

2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide (PubChem CID 156734170) has the molecular formula C21H18F2N6O3S and a molecular weight of 472.48 g/mol. Its IUPAC name is 2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide
PubChem CID156734170
Molecular FormulaC21H18F2N6O3S
Molecular Weight472.48 g/mol
Exact Mass472.11
IUPAC Name2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1
InChIInChI=1S/C21H18F2N6O3S/c1-24-21(30)12-29-11-13(10-25-29)2-4-19-18-9-16(3-5-20(18)27-26-19)28-33(31,32)17-7-14(22)6-15(23)8-17/h2-11,28H,12H2,1H3,(H,24,30)(H,26,27)/b4-2+
InChIKeyOKXSJDVBSKGVKR-DUXPYHPUSA-N
XLogP2.75
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide
CID 156734180
N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide
CID 164944606
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine
CID 156734075
2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511499
2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60933762
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580816
2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 155076981
methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate
CID 55567750
2-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 67090329

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide (CID 156734170) is 2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.
What is the InChIKey of 2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is OKXSJDVBSKGVKR-DUXPYHPUSA-N. The full InChI is InChI=1S/C21H18F2N6O3S/c1-24-21(30)12-29-11-13(10-25-29)2-4-19-18-9-16(3-5-20(18)27-26-19)28-33(31,32)17-7-14(22)6-15(23)8-17/h2-11,28H,12H2,1H3,(H,24,30)(H,26,27)/b4-2+.
What are the key properties of 2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 472.48 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 156734170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).