5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide

C13H10BrClFNO3S — CID 103047118

IUPAC5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C13H10BrClFNO3S/c14-9-1-4-12(13(6-9)21(17,18)19)20-7-8-5-10(15)2-3-11(8)16/h1-6H,7H2,(H2,17,18,19)
InChIKeyCMLDJRZYIJIIMH-UHFFFAOYSA-N
MW394.65 g/mol
LogP3.47
Rot. Bonds4

About 5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide

5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide (PubChem CID 103047118) has the molecular formula C13H10BrClFNO3S and a molecular weight of 394.65 g/mol. Its IUPAC name is 5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide
PubChem CID103047118
Molecular FormulaC13H10BrClFNO3S
Molecular Weight394.65 g/mol
Exact Mass392.92
IUPAC Name5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C13H10BrClFNO3S/c14-9-1-4-12(13(6-9)21(17,18)19)20-7-8-5-10(15)2-3-11(8)16/h1-6H,7H2,(H2,17,18,19)
InChIKeyCMLDJRZYIJIIMH-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide (CID 103047118) is 5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1cc(Br)ccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of 5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide?
The InChIKey is CMLDJRZYIJIIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO3S/c14-9-1-4-12(13(6-9)21(17,18)19)20-7-8-5-10(15)2-3-11(8)16/h1-6H,7H2,(H2,17,18,19).
What are the key properties of 5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide?
5-bromo-2-[(5-chloro-2-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 5-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 103047118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).