6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole

C15H13BrFNO2S — CID 18629321

IUPAC6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3cc(Br)cc(F)c3C2)cc1
InChIInChI=1S/C15H13BrFNO2S/c1-10-2-4-13(5-3-10)21(19,20)18-8-11-6-12(16)7-15(17)14(11)9-18/h2-7H,8-9H2,1H3
InChIKeyAGILTSYHCGBVTG-UHFFFAOYSA-N
MW370.24 g/mol
LogP3.60
Rot. Bonds2

About 6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole

6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole (PubChem CID 18629321) has the molecular formula C15H13BrFNO2S and a molecular weight of 370.24 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
PubChem CID18629321
Molecular FormulaC15H13BrFNO2S
Molecular Weight370.24 g/mol
Exact Mass368.98
IUPAC Name6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3cc(Br)cc(F)c3C2)cc1
InChIInChI=1S/C15H13BrFNO2S/c1-10-2-4-13(5-3-10)21(19,20)18-8-11-6-12(16)7-15(17)14(11)9-18/h2-7H,8-9H2,1H3
InChIKeyAGILTSYHCGBVTG-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The IUPAC name of 6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole (CID 18629321) is 6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole.
What is the SMILES notation for 6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The canonical SMILES for 6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole is Cc1ccc(S(=O)(=O)N2Cc3cc(Br)cc(F)c3C2)cc1.
What is the InChIKey of 6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The InChIKey is AGILTSYHCGBVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2S/c1-10-2-4-13(5-3-10)21(19,20)18-8-11-6-12(16)7-15(17)14(11)9-18/h2-7H,8-9H2,1H3.
What are the key properties of 6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole has a molecular weight of 370.24 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole is sourced from PubChem (CID 18629321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).