7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine

C21H19NO2S2 — CID 11728654

IUPAC7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCSc1cc2c(c(-c3ccccc3)n1)C(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C21H19NO2S2/c1-25-19-14-16-12-13-18(26(23,24)17-10-6-3-7-11-17)20(16)21(22-19)15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3
InChIKeyBHWFVRQCAXOXFT-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.93
Rot. Bonds4

About 7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine

7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 11728654) has the molecular formula C21H19NO2S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID11728654
Molecular FormulaC21H19NO2S2
Molecular Weight381.52 g/mol
Exact Mass381.09
IUPAC Name7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCSc1cc2c(c(-c3ccccc3)n1)C(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C21H19NO2S2/c1-25-19-14-16-12-13-18(26(23,24)17-10-6-3-7-11-17)20(16)21(22-19)15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3
InChIKeyBHWFVRQCAXOXFT-UHFFFAOYSA-N
XLogP4.93
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 11728654) is 7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine is CSc1cc2c(c(-c3ccccc3)n1)C(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is BHWFVRQCAXOXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S2/c1-25-19-14-16-12-13-18(26(23,24)17-10-6-3-7-11-17)20(16)21(22-19)15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 381.52 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 11728654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).