5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole

C21H18FNO2S — CID 139204361

IUPAC5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc(-c4cccc(F)c4)cc3C2)cc1
InChIInChI=1S/C21H18FNO2S/c1-15-5-9-21(10-6-15)26(24,25)23-13-18-8-7-17(11-19(18)14-23)16-3-2-4-20(22)12-16/h2-12H,13-14H2,1H3
InChIKeyGRAIKVYXLOETPD-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.51
Rot. Bonds3

About 5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole

5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole (PubChem CID 139204361) has the molecular formula C21H18FNO2S and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
PubChem CID139204361
Molecular FormulaC21H18FNO2S
Molecular Weight367.45 g/mol
Exact Mass367.10
IUPAC Name5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc(-c4cccc(F)c4)cc3C2)cc1
InChIInChI=1S/C21H18FNO2S/c1-15-5-9-21(10-6-15)26(24,25)23-13-18-8-7-17(11-19(18)14-23)16-3-2-4-20(22)12-16/h2-12H,13-14H2,1H3
InChIKeyGRAIKVYXLOETPD-UHFFFAOYSA-N
XLogP4.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The IUPAC name of 5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole (CID 139204361) is 5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The canonical SMILES for 5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole is Cc1ccc(S(=O)(=O)N2Cc3ccc(-c4cccc(F)c4)cc3C2)cc1.
What is the InChIKey of 5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The InChIKey is GRAIKVYXLOETPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2S/c1-15-5-9-21(10-6-15)26(24,25)23-13-18-8-7-17(11-19(18)14-23)16-3-2-4-20(22)12-16/h2-12H,13-14H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole has a molecular weight of 367.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole is sourced from PubChem (CID 139204361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).