6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole

C21H16N2O2S — CID 141056052

IUPAC6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole
SMILESO=S(=O)(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1
InChIInChI=1S/C21H16N2O2S/c24-26(25,17-9-5-2-6-10-17)18-12-13-19-20(22-23-21(19)15-18)14-11-16-7-3-1-4-8-16/h1-15H,(H,22,23)/b14-11+
InChIKeyLYPOFMZSLULSML-SDNWHVSQSA-N
MW360.44 g/mol
LogP4.57
Rot. Bonds4

About 6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole

6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole (PubChem CID 141056052) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole.

Molecular Properties

Compound Name6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole
PubChem CID141056052
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole
SMILESO=S(=O)(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1
InChIInChI=1S/C21H16N2O2S/c24-26(25,17-9-5-2-6-10-17)18-12-13-19-20(22-23-21(19)15-18)14-11-16-7-3-1-4-8-16/h1-15H,(H,22,23)/b14-11+
InChIKeyLYPOFMZSLULSML-SDNWHVSQSA-N
XLogP4.57
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
CID 142995649
3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole
CID 90971721
5-(benzenesulfonyl)-1H-indazol-3-amine
CID 66736165
N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide
CID 73314053
6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 174370726
[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
CID 142037641
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]benzenesulfonamide
CID 69002102
N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide
CID 16730668
4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
CID 11437002
2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide
CID 134148392
N-methyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfonyl]benzamide
CID 91810708
3-(2-phenylethenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazole
CID 91173545

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
The IUPAC name of 6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole (CID 141056052) is 6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole.
What is the SMILES notation for 6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
The canonical SMILES for 6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole is O=S(=O)(c1ccccc1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.
What is the InChIKey of 6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
The InChIKey is LYPOFMZSLULSML-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H16N2O2S/c24-26(25,17-9-5-2-6-10-17)18-12-13-19-20(22-23-21(19)15-18)14-11-16-7-3-1-4-8-16/h1-15H,(H,22,23)/b14-11+.
What are the key properties of 6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole has a molecular weight of 360.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole is sourced from PubChem (CID 141056052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).