4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline

C15H11Br2NO2S — CID 132524487

IUPAC4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline
SMILESO=S(=O)(c1ccc(Br)cc1)N1C=C(Br)c2ccccc2C1
InChIInChI=1S/C15H11Br2NO2S/c16-12-5-7-13(8-6-12)21(19,20)18-9-11-3-1-2-4-14(11)15(17)10-18/h1-8,10H,9H2
InChIKeyWWBMUTLCHVEVOR-UHFFFAOYSA-N
MW429.13 g/mol
LogP4.35
Rot. Bonds2

About 4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline

4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline (PubChem CID 132524487) has the molecular formula C15H11Br2NO2S and a molecular weight of 429.13 g/mol. Its IUPAC name is 4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline.

Molecular Properties

Compound Name4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline
PubChem CID132524487
Molecular FormulaC15H11Br2NO2S
Molecular Weight429.13 g/mol
Exact Mass426.89
IUPAC Name4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline
SMILESO=S(=O)(c1ccc(Br)cc1)N1C=C(Br)c2ccccc2C1
InChIInChI=1S/C15H11Br2NO2S/c16-12-5-7-13(8-6-12)21(19,20)18-9-11-3-1-2-4-14(11)15(17)10-18/h1-8,10H,9H2
InChIKeyWWBMUTLCHVEVOR-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine
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4-bromo-6-methyl-2-methylsulfonyl-1H-isoquinoline
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3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
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(11bR)-2-(4-bromophenyl)sulfonyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 51711405
2-(4-bromophenyl)sulfonyl-4-(4-methylphenyl)-1,4-dihydroisoquinolin-3-one
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1-(4-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 2128103
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
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4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline?
The IUPAC name of 4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline (CID 132524487) is 4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline.
What is the SMILES notation for 4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline?
The canonical SMILES for 4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline is O=S(=O)(c1ccc(Br)cc1)N1C=C(Br)c2ccccc2C1.
What is the InChIKey of 4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline?
The InChIKey is WWBMUTLCHVEVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO2S/c16-12-5-7-13(8-6-12)21(19,20)18-9-11-3-1-2-4-14(11)15(17)10-18/h1-8,10H,9H2.
What are the key properties of 4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline?
4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline has a molecular weight of 429.13 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromophenyl)sulfonyl-1H-isoquinoline is sourced from PubChem (CID 132524487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).