4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide

C13H11IN2O3S — CID 65098765

IUPAC4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(I)cn2)cc1
InChIInChI=1S/C13H11IN2O3S/c1-9(17)10-2-5-12(6-3-10)20(18,19)16-13-7-4-11(14)8-15-13/h2-8H,1H3,(H,15,16)
InChIKeyUOJAGVDSZYDZQX-UHFFFAOYSA-N
MW402.21 g/mol
LogP2.69
Rot. Bonds4

About 4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide

4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide (PubChem CID 65098765) has the molecular formula C13H11IN2O3S and a molecular weight of 402.21 g/mol. Its IUPAC name is 4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide
PubChem CID65098765
Molecular FormulaC13H11IN2O3S
Molecular Weight402.21 g/mol
Exact Mass401.95
IUPAC Name4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(I)cn2)cc1
InChIInChI=1S/C13H11IN2O3S/c1-9(17)10-2-5-12(6-3-10)20(18,19)16-13-7-4-11(14)8-15-13/h2-8H,1H3,(H,15,16)
InChIKeyUOJAGVDSZYDZQX-UHFFFAOYSA-N
XLogP2.69
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 100923791
N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 69401317
N-(5-acetyl-2-pyridinyl)-4-(3-hydroxypropoxy)benzenesulfonamide
CID 131738517
4-acetyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116787283
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
CID 6463370
2-(dimethylsulfamoylamino)-5-iodopyridine
CID 65100815
N-[4-[(5-amino-2-pyridinyl)sulfamoyl]phenyl]acetamide
CID 43328729
N-(5-iodo-2-pyridinyl)propane-2-sulfonamide
CID 65099160
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113020457
N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258782
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide (CID 65098765) is 4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(I)cn2)cc1.
What is the InChIKey of 4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide?
The InChIKey is UOJAGVDSZYDZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O3S/c1-9(17)10-2-5-12(6-3-10)20(18,19)16-13-7-4-11(14)8-15-13/h2-8H,1H3,(H,15,16).
What are the key properties of 4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide?
4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide has a molecular weight of 402.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5-iodo-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 65098765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).