1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide

C22H19N3O2S — CID 46886393

IUPAC1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1
InChIInChI=1S/C22H19N3O2S/c26-28(27,16-18-9-5-2-6-10-18)25-19-12-14-22-20(15-19)21(23-24-22)13-11-17-7-3-1-4-8-17/h1-15,25H,16H2,(H,23,24)/b13-11+
InChIKeyGCKBOFRETXSMFP-ACCUITESSA-N
MW389.48 g/mol
LogP4.68
Rot. Bonds6

About 1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide

1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide (PubChem CID 46886393) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide
PubChem CID46886393
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1
InChIInChI=1S/C22H19N3O2S/c26-28(27,16-18-9-5-2-6-10-18)25-19-12-14-22-20(15-19)21(23-24-22)13-11-17-7-3-1-4-8-17/h1-15,25H,16H2,(H,23,24)/b13-11+
InChIKeyGCKBOFRETXSMFP-ACCUITESSA-N
XLogP4.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide (CID 46886393) is 1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.
What is the InChIKey of 1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide?
The InChIKey is GCKBOFRETXSMFP-ACCUITESSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-28(27,16-18-9-5-2-6-10-18)25-19-12-14-22-20(15-19)21(23-24-22)13-11-17-7-3-1-4-8-17/h1-15,25H,16H2,(H,23,24)/b13-11+.
What are the key properties of 1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide?
1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]methanesulfonamide is sourced from PubChem (CID 46886393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).