N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide

C20H17F2N5O2S — CID 156734180

IUPACN-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide
SMILESCCn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1
InChIInChI=1S/C20H17F2N5O2S/c1-2-27-12-13(11-23-27)3-5-19-18-10-16(4-6-20(18)25-24-19)26-30(28,29)17-8-14(21)7-15(22)9-17/h3-12,26H,2H2,1H3,(H,24,25)/b5-3+
InChIKeyVUQKSMFTKOVGLO-HWKANZROSA-N
MW429.45 g/mol
LogP4.03
Rot. Bonds6

About N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide

N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide (PubChem CID 156734180) has the molecular formula C20H17F2N5O2S and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide
PubChem CID156734180
Molecular FormulaC20H17F2N5O2S
Molecular Weight429.45 g/mol
Exact Mass429.11
IUPAC NameN-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide
SMILESCCn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1
InChIInChI=1S/C20H17F2N5O2S/c1-2-27-12-13(11-23-27)3-5-19-18-10-16(4-6-20(18)25-24-19)26-30(28,29)17-8-14(21)7-15(22)9-17/h3-12,26H,2H2,1H3,(H,24,25)/b5-3+
InChIKeyVUQKSMFTKOVGLO-HWKANZROSA-N
XLogP4.03
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide
CID 156734170
N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide
CID 164944606
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine
CID 156734075
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 60824964
1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 22203721

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide (CID 156734180) is N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide is CCn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.
What is the InChIKey of N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide?
The InChIKey is VUQKSMFTKOVGLO-HWKANZROSA-N. The full InChI is InChI=1S/C20H17F2N5O2S/c1-2-27-12-13(11-23-27)3-5-19-18-10-16(4-6-20(18)25-24-19)26-30(28,29)17-8-14(21)7-15(22)9-17/h3-12,26H,2H2,1H3,(H,24,25)/b5-3+.
What are the key properties of N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide?
N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide has a molecular weight of 429.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 156734180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).