3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide

C13H10BrClFNO3S — CID 43164339

IUPAC3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C13H10BrClFNO3S/c14-11-6-10(21(17,18)19)3-4-13(11)20-7-8-1-2-9(16)5-12(8)15/h1-6H,7H2,(H2,17,18,19)
InChIKeyODHATWQIYIUNMU-UHFFFAOYSA-N
MW394.65 g/mol
LogP3.47
Rot. Bonds4

About 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide

3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide (PubChem CID 43164339) has the molecular formula C13H10BrClFNO3S and a molecular weight of 394.65 g/mol. Its IUPAC name is 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide
PubChem CID43164339
Molecular FormulaC13H10BrClFNO3S
Molecular Weight394.65 g/mol
Exact Mass392.92
IUPAC Name3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C13H10BrClFNO3S/c14-11-6-10(21(17,18)19)3-4-13(11)20-7-8-1-2-9(16)5-12(8)15/h1-6H,7H2,(H2,17,18,19)
InChIKeyODHATWQIYIUNMU-UHFFFAOYSA-N
XLogP3.47
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide (CID 43164339) is 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide?
The InChIKey is ODHATWQIYIUNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO3S/c14-11-6-10(21(17,18)19)3-4-13(11)20-7-8-1-2-9(16)5-12(8)15/h1-6H,7H2,(H2,17,18,19).
What are the key properties of 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide?
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide has a molecular weight of 394.65 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 43164339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).