4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide

C20H15BrN2O4S — CID 10434326

IUPAC4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccncc2)cc1
InChIInChI=1S/C20H15BrN2O4S/c1-13(24)14-2-5-17(6-3-14)28(26,27)23-19-7-4-16(21)12-18(19)20(25)15-8-10-22-11-9-15/h2-12,23H,1H3
InChIKeyILZXQHYLZGAXNI-UHFFFAOYSA-N
MW459.32 g/mol
LogP4.08
Rot. Bonds6

About 4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide

4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 10434326) has the molecular formula C20H15BrN2O4S and a molecular weight of 459.32 g/mol. Its IUPAC name is 4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID10434326
Molecular FormulaC20H15BrN2O4S
Molecular Weight459.32 g/mol
Exact Mass457.99
IUPAC Name4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccncc2)cc1
InChIInChI=1S/C20H15BrN2O4S/c1-13(24)14-2-5-17(6-3-14)28(26,27)23-19-7-4-16(21)12-18(19)20(25)15-8-10-22-11-9-15/h2-12,23H,1H3
InChIKeyILZXQHYLZGAXNI-UHFFFAOYSA-N
XLogP4.08
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 10413664
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10387892
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
2-[4-[[4-chloro-2-(pyridine-4-carbonyl)phenyl]sulfamoyl]phenyl]-N,N,2-trimethylpropanamide
CID 20827654
4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 103752842
4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103862771
4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide
CID 103907893
N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043946
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzoic acid
CID 24762558
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide (CID 10434326) is 4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccncc2)cc1.
What is the InChIKey of 4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is ILZXQHYLZGAXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O4S/c1-13(24)14-2-5-17(6-3-14)28(26,27)23-19-7-4-16(21)12-18(19)20(25)15-8-10-22-11-9-15/h2-12,23H,1H3.
What are the key properties of 4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide?
4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 459.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10434326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).