2-(3-bromophenyl)sulfonylisoindole-1,3-dione

C14H8BrNO4S — CID 91800416

IUPAC2-(3-bromophenyl)sulfonylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H8BrNO4S/c15-9-4-3-5-10(8-9)21(19,20)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H
InChIKeyAYCPWXGZBJZPOA-UHFFFAOYSA-N
MW366.19 g/mol
LogP2.43
Rot. Bonds2

About 2-(3-bromophenyl)sulfonylisoindole-1,3-dione

2-(3-bromophenyl)sulfonylisoindole-1,3-dione (PubChem CID 91800416) has the molecular formula C14H8BrNO4S and a molecular weight of 366.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfonylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfonylisoindole-1,3-dione
PubChem CID91800416
Molecular FormulaC14H8BrNO4S
Molecular Weight366.19 g/mol
Exact Mass364.94
IUPAC Name2-(3-bromophenyl)sulfonylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H8BrNO4S/c15-9-4-3-5-10(8-9)21(19,20)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H
InChIKeyAYCPWXGZBJZPOA-UHFFFAOYSA-N
XLogP2.43
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylphenyl)sulfonylisoindole-1,3-dione
CID 164613520
1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 46799835
4-(3-bromophenyl)sulfonyl-1,4-diazepan-2-one
CID 62896700
1-(3-bromophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-one
CID 115275485
lithium 3-bromobenzenesulfonate
CID 139842272
1-(3-bromophenyl)sulfonyl-5-[4-[1-(3-bromophenyl)sulfonyltetrazol-5-yl]phenyl]tetrazole
CID 139267596
1-(3-bromophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845024
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
1-(3-bromophenyl)sulfonyl-5-(2-fluorophenyl)pyrrole-3-carbaldehyde
CID 166463331
2-(4-azidophenyl)sulfonylisoindole-1,3-dione
CID 163854414
1-(3-bromophenyl)sulfonyl-2,2-dimethylpyrrolidin-3-one
CID 115275100
(4aS,8aS)-2-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926600

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfonylisoindole-1,3-dione?
The IUPAC name of 2-(3-bromophenyl)sulfonylisoindole-1,3-dione (CID 91800416) is 2-(3-bromophenyl)sulfonylisoindole-1,3-dione.
What is the SMILES notation for 2-(3-bromophenyl)sulfonylisoindole-1,3-dione?
The canonical SMILES for 2-(3-bromophenyl)sulfonylisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfonylisoindole-1,3-dione?
The InChIKey is AYCPWXGZBJZPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO4S/c15-9-4-3-5-10(8-9)21(19,20)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H.
What are the key properties of 2-(3-bromophenyl)sulfonylisoindole-1,3-dione?
2-(3-bromophenyl)sulfonylisoindole-1,3-dione has a molecular weight of 366.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfonylisoindole-1,3-dione is sourced from PubChem (CID 91800416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).