dibenzofuran-2-yl 4-bromobenzenesulfonate

C18H11BrO4S — CID 7573621

IUPACdibenzofuran-2-yl 4-bromobenzenesulfonate
SMILESO=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccc(Br)cc1
InChIInChI=1S/C18H11BrO4S/c19-12-5-8-14(9-6-12)24(20,21)23-13-7-10-18-16(11-13)15-3-1-2-4-17(15)22-18/h1-11H
InChIKeyRBPXESXAFMXMAQ-UHFFFAOYSA-N
MW403.25 g/mol
LogP5.12
Rot. Bonds3

About dibenzofuran-2-yl 4-bromobenzenesulfonate

dibenzofuran-2-yl 4-bromobenzenesulfonate (PubChem CID 7573621) has the molecular formula C18H11BrO4S and a molecular weight of 403.25 g/mol. Its IUPAC name is dibenzofuran-2-yl 4-bromobenzenesulfonate.

Molecular Properties

Compound Namedibenzofuran-2-yl 4-bromobenzenesulfonate
PubChem CID7573621
Molecular FormulaC18H11BrO4S
Molecular Weight403.25 g/mol
Exact Mass401.96
IUPAC Namedibenzofuran-2-yl 4-bromobenzenesulfonate
SMILESO=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccc(Br)cc1
InChIInChI=1S/C18H11BrO4S/c19-12-5-8-14(9-6-12)24(20,21)23-13-7-10-18-16(11-13)15-3-1-2-4-17(15)22-18/h1-11H
InChIKeyRBPXESXAFMXMAQ-UHFFFAOYSA-N
XLogP5.12
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.25
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze dibenzofuran-2-yl 4-bromobenzenesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibenzofuran-3-yl 4-bromobenzenesulfonate
CID 7731222
(2-oxo-1,3-benzoxathiol-5-yl) 4-bromobenzenesulfonate
CID 3130151
dibenzofuran-2-yl 2,5-dimethoxybenzenesulfonate
CID 2133595
dibenzofuran-2-yl 2-chloro-5-nitrobenzenesulfonate
CID 7573620
CID 67500547
CID 67500547
dibenzofuran-2-yl 4-(4-bromophenoxy)butanoate
CID 3465330
(4-methyl-2-oxo-3-phenylchromen-6-yl) 4-fluorobenzenesulfonate
CID 7198788
(2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide
CID 7916408
2-[2-(3-bromophenoxy)ethoxy]dibenzofuran
CID 7916398
dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
CID 159889298
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 4-bromobenzenesulfonate?
The IUPAC name of dibenzofuran-2-yl 4-bromobenzenesulfonate (CID 7573621) is dibenzofuran-2-yl 4-bromobenzenesulfonate.
What is the SMILES notation for dibenzofuran-2-yl 4-bromobenzenesulfonate?
The canonical SMILES for dibenzofuran-2-yl 4-bromobenzenesulfonate is O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccc(Br)cc1.
What is the InChIKey of dibenzofuran-2-yl 4-bromobenzenesulfonate?
The InChIKey is RBPXESXAFMXMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrO4S/c19-12-5-8-14(9-6-12)24(20,21)23-13-7-10-18-16(11-13)15-3-1-2-4-17(15)22-18/h1-11H.
What are the key properties of dibenzofuran-2-yl 4-bromobenzenesulfonate?
dibenzofuran-2-yl 4-bromobenzenesulfonate has a molecular weight of 403.25 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 4-bromobenzenesulfonate is sourced from PubChem (CID 7573621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).