4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide

C12H8BrClFNO3S — CID 61375602

IUPAC4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C12H8BrClFNO3S/c13-7-1-3-12(10(15)5-7)19-11-4-2-8(6-9(11)14)20(16,17)18/h1-6H,(H2,16,17,18)
InChIKeyDOKPEIAKHMAAME-UHFFFAOYSA-N
MW380.62 g/mol
LogP3.68
Rot. Bonds3

About 4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide

4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide (PubChem CID 61375602) has the molecular formula C12H8BrClFNO3S and a molecular weight of 380.62 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide
PubChem CID61375602
Molecular FormulaC12H8BrClFNO3S
Molecular Weight380.62 g/mol
Exact Mass378.91
IUPAC Name4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C12H8BrClFNO3S/c13-7-1-3-12(10(15)5-7)19-11-4-2-8(6-9(11)14)20(16,17)18/h1-6H,(H2,16,17,18)
InChIKeyDOKPEIAKHMAAME-UHFFFAOYSA-N
XLogP3.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide (CID 61375602) is 4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide is NS(=O)(=O)c1ccc(Oc2ccc(Br)cc2F)c(Cl)c1.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide?
The InChIKey is DOKPEIAKHMAAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO3S/c13-7-1-3-12(10(15)5-7)19-11-4-2-8(6-9(11)14)20(16,17)18/h1-6H,(H2,16,17,18).
What are the key properties of 4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide?
4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide has a molecular weight of 380.62 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 61375602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).