6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole

C22H19N3O2S — CID 89095577

IUPAC6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
SMILESCS(=O)(=O)c1ccc(/C=C/c2cc(/C=C/c3ccc4cc[nH]c4c3)n[nH]2)cc1
InChIInChI=1S/C22H19N3O2S/c1-28(26,27)21-10-5-16(6-11-21)3-8-19-15-20(25-24-19)9-4-17-2-7-18-12-13-23-22(18)14-17/h2-15,23H,1H3,(H,24,25)/b8-3+,9-4+
InChIKeyRFLWRIRQIQIMLI-BQYBEJQRSA-N
MW389.48 g/mol
LogP4.64
Rot. Bonds5

About 6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole

6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole (PubChem CID 89095577) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole.

Molecular Properties

Compound Name6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
PubChem CID89095577
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
SMILESCS(=O)(=O)c1ccc(/C=C/c2cc(/C=C/c3ccc4cc[nH]c4c3)n[nH]2)cc1
InChIInChI=1S/C22H19N3O2S/c1-28(26,27)21-10-5-16(6-11-21)3-8-19-15-20(25-24-19)9-4-17-2-7-18-12-13-23-22(18)14-17/h2-15,23H,1H3,(H,24,25)/b8-3+,9-4+
InChIKeyRFLWRIRQIQIMLI-BQYBEJQRSA-N
XLogP4.64
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The IUPAC name of 6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole (CID 89095577) is 6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole.
What is the SMILES notation for 6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The canonical SMILES for 6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole is CS(=O)(=O)c1ccc(/C=C/c2cc(/C=C/c3ccc4cc[nH]c4c3)n[nH]2)cc1.
What is the InChIKey of 6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The InChIKey is RFLWRIRQIQIMLI-BQYBEJQRSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-28(26,27)21-10-5-16(6-11-21)3-8-19-15-20(25-24-19)9-4-17-2-7-18-12-13-23-22(18)14-17/h2-15,23H,1H3,(H,24,25)/b8-3+,9-4+.
What are the key properties of 6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole has a molecular weight of 389.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[5-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole is sourced from PubChem (CID 89095577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).