4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide

C13H11BrFNO3S — CID 43342384

IUPAC4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C13H11BrFNO3S/c14-10-3-1-9(2-4-10)8-19-13-6-5-11(7-12(13)15)20(16,17)18/h1-7H,8H2,(H2,16,17,18)
InChIKeyNDSIDOHFLBBVKU-UHFFFAOYSA-N
MW360.20 g/mol
LogP2.81
Rot. Bonds4

About 4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide

4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide (PubChem CID 43342384) has the molecular formula C13H11BrFNO3S and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide
PubChem CID43342384
Molecular FormulaC13H11BrFNO3S
Molecular Weight360.20 g/mol
Exact Mass358.96
IUPAC Name4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C13H11BrFNO3S/c14-10-3-1-9(2-4-10)8-19-13-6-5-11(7-12(13)15)20(16,17)18/h1-7H,8H2,(H2,16,17,18)
InChIKeyNDSIDOHFLBBVKU-UHFFFAOYSA-N
XLogP2.81
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide (CID 43342384) is 4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide?
The InChIKey is NDSIDOHFLBBVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO3S/c14-10-3-1-9(2-4-10)8-19-13-6-5-11(7-12(13)15)20(16,17)18/h1-7H,8H2,(H2,16,17,18).
What are the key properties of 4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide?
4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide has a molecular weight of 360.20 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 43342384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).