N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide

C13H11BrFNO3S — CID 47310958

IUPACN-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H11BrFNO3S/c1-19-12-7-6-9(14)8-11(12)16-20(17,18)13-5-3-2-4-10(13)15/h2-8,16H,1H3
InChIKeyZLWJLFJVFXQQIK-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.40
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide

N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide (PubChem CID 47310958) has the molecular formula C13H11BrFNO3S and a molecular weight of 360.20 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
PubChem CID47310958
Molecular FormulaC13H11BrFNO3S
Molecular Weight360.20 g/mol
Exact Mass358.96
IUPAC NameN-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H11BrFNO3S/c1-19-12-7-6-9(14)8-11(12)16-20(17,18)13-5-3-2-4-10(13)15/h2-8,16H,1H3
InChIKeyZLWJLFJVFXQQIK-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 103412574
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 82845895
methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 2480010
4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764817
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide (CID 47310958) is N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide is COc1ccc(Br)cc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is ZLWJLFJVFXQQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO3S/c1-19-12-7-6-9(14)8-11(12)16-20(17,18)13-5-3-2-4-10(13)15/h2-8,16H,1H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide?
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 360.20 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 47310958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).