N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide

C13H12ClN3O3S — CID 89091150

IUPACN-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide
SMILESCC(=O)c1cc(Cl)ncc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H12ClN3O3S/c1-8(18)11-6-13(14)16-7-12(11)17-21(19,20)10-4-2-9(15)3-5-10/h2-7,17H,15H2,1H3
InChIKeyACBIDKONWUZIDW-UHFFFAOYSA-N
MW325.78 g/mol
LogP2.32
Rot. Bonds4

About N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide

N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide (PubChem CID 89091150) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide
PubChem CID89091150
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC NameN-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide
SMILESCC(=O)c1cc(Cl)ncc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H12ClN3O3S/c1-8(18)11-6-13(14)16-7-12(11)17-21(19,20)10-4-2-9(15)3-5-10/h2-7,17H,15H2,1H3
InChIKeyACBIDKONWUZIDW-UHFFFAOYSA-N
XLogP2.32
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694
4-amino-N-(6-chloropyrimidin-4-yl)benzenesulfonamide
CID 20781945
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
4-amino-N-(3,5-dichloropyrazin-2-yl)benzenesulfonamide
CID 86120603
N-[4-[(5-amino-2-pyridinyl)sulfamoyl]phenyl]acetamide
CID 43328729
N-[4-chloro-2-(6-chloropyridine-3-carbonyl)phenyl]-4-prop-1-en-2-ylbenzenesulfonamide
CID 88856886
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 3583124
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
4-amino-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81263027
4-amino-N-(4-chloro-5-ethoxypyrimidin-2-yl)benzenesulfonamide
CID 154127675
4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10387892
3-[(6-chloro-3-pyridinyl)sulfonylamino]-4-methylbenzoate
CID 7940712

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide?
The IUPAC name of N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide (CID 89091150) is N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide.
What is the SMILES notation for N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide?
The canonical SMILES for N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide is CC(=O)c1cc(Cl)ncc1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide?
The InChIKey is ACBIDKONWUZIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c1-8(18)11-6-13(14)16-7-12(11)17-21(19,20)10-4-2-9(15)3-5-10/h2-7,17H,15H2,1H3.
What are the key properties of N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide?
N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide has a molecular weight of 325.78 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide is sourced from PubChem (CID 89091150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).