4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide

C14H11BrFNO3S — CID 103752842

IUPAC4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)cc1
InChIInChI=1S/C14H11BrFNO3S/c1-9(18)10-2-5-12(6-3-10)21(19,20)17-14-8-11(16)4-7-13(14)15/h2-8,17H,1H3
InChIKeySWZIUVRXFLDQJW-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.59
Rot. Bonds4

About 4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide

4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide (PubChem CID 103752842) has the molecular formula C14H11BrFNO3S and a molecular weight of 372.22 g/mol. Its IUPAC name is 4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
PubChem CID103752842
Molecular FormulaC14H11BrFNO3S
Molecular Weight372.22 g/mol
Exact Mass370.96
IUPAC Name4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)cc1
InChIInChI=1S/C14H11BrFNO3S/c1-9(18)10-2-5-12(6-3-10)21(19,20)17-14-8-11(16)4-7-13(14)15/h2-8,17H,1H3
InChIKeySWZIUVRXFLDQJW-UHFFFAOYSA-N
XLogP3.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 107624656
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide
CID 113255256
N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107629533
4-[(3-bromo-5-fluoro-2-methoxyphenyl)sulfamoyl]benzoic acid
CID 17488827
4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103862771
4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide
CID 103907893
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10434326
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide (CID 103752842) is 4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Br)cc1.
What is the InChIKey of 4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide?
The InChIKey is SWZIUVRXFLDQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3S/c1-9(18)10-2-5-12(6-3-10)21(19,20)17-14-8-11(16)4-7-13(14)15/h2-8,17H,1H3.
What are the key properties of 4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide?
4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide has a molecular weight of 372.22 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 103752842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).