5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine

C22H19NO2S — CID 11523366

IUPAC5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine
SMILESCS(=O)(=O)N1Cc2ccccc2-c2cc(/C=C/c3ccccc3)ccc21
InChIInChI=1S/C22H19NO2S/c1-26(24,25)23-16-19-9-5-6-10-20(19)21-15-18(13-14-22(21)23)12-11-17-7-3-2-4-8-17/h2-15H,16H2,1H3/b12-11+
InChIKeyNPGQWTJFPXUOSF-VAWYXSNFSA-N
MW361.47 g/mol
LogP4.80
Rot. Bonds3

About 5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine

5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine (PubChem CID 11523366) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine.

Molecular Properties

Compound Name5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine
PubChem CID11523366
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine
SMILESCS(=O)(=O)N1Cc2ccccc2-c2cc(/C=C/c3ccccc3)ccc21
InChIInChI=1S/C22H19NO2S/c1-26(24,25)23-16-19-9-5-6-10-20(19)21-15-18(13-14-22(21)23)12-11-17-7-3-2-4-8-17/h2-15H,16H2,1H3/b12-11+
InChIKeyNPGQWTJFPXUOSF-VAWYXSNFSA-N
XLogP4.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine?
The IUPAC name of 5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine (CID 11523366) is 5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine.
What is the SMILES notation for 5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine?
The canonical SMILES for 5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine is CS(=O)(=O)N1Cc2ccccc2-c2cc(/C=C/c3ccccc3)ccc21.
What is the InChIKey of 5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine?
The InChIKey is NPGQWTJFPXUOSF-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-26(24,25)23-16-19-9-5-6-10-20(19)21-15-18(13-14-22(21)23)12-11-17-7-3-2-4-8-17/h2-15H,16H2,1H3/b12-11+.
What are the key properties of 5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine?
5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine has a molecular weight of 361.47 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-[(E)-2-phenylethenyl]-6H-phenanthridine is sourced from PubChem (CID 11523366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).