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

C21H17F2N5O2S — CID 164944606

IUPACN-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(C4CC4)c3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H17F2N5O2S/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/h1-2,5-12,17,27H,3-4H2,(H,25,26)/b5-1+
InChIKeyGSNPCSBGBGCULN-ORCRQEGFSA-N
MW441.46 g/mol
LogP4.34
Rot. Bonds6

About N-[3-[(E)-2-(1-cyclopropylpyrazol-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 (PubChem CID 164944606) has the molecular formula C21H17F2N5O2S and a molecular weight of 441.46 g/mol. Its IUPAC name is N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide
PubChem CID164944606
Molecular FormulaC21H17F2N5O2S
Molecular Weight441.46 g/mol
Exact Mass441.11
IUPAC NameN-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(C4CC4)c3)c2c1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H17F2N5O2S/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/h1-2,5-12,17,27H,3-4H2,(H,25,26)/b5-1+
InChIKeyGSNPCSBGBGCULN-ORCRQEGFSA-N
XLogP4.34
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide
CID 156734180
2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide
CID 156734170
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[(E)-2-phenylethenyl]-1H-indazol-5-amine
CID 156734075
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
CID 43604908
N-(6-amino-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 60791459
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
5-fluoro-N-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]pyridine-3-sulfonamide
CID 175198315
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283
N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide
CID 73314053
1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 146141081
2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
CID 46886304

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide (CID 164944606) is N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(C4CC4)c3)c2c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[3-[(E)-2-(1-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide?
The InChIKey is GSNPCSBGBGCULN-ORCRQEGFSA-N. The full InChI is InChI=1S/C21H17F2N5O2S/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/h1-2,5-12,17,27H,3-4H2,(H,25,26)/b5-1+.
What are the key properties of N-[3-[(E)-2-(1-cyclopropylpyrazol-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 has a molecular weight of 441.46 g/mol, XLogP of 4.34, 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-cyclopropylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 164944606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).