N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide

C20H14IN3O3S — CID 19258782

IUPACN-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(I)cn1)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H14IN3O3S/c21-16-8-11-19(22-12-16)24-28(25,26)17-9-6-15(7-10-17)20-23-13-18(27-20)14-4-2-1-3-5-14/h1-13H,(H,22,24)
InChIKeyRWNFNYBOUDONLG-UHFFFAOYSA-N
MW503.32 g/mol
LogP4.81
Rot. Bonds5

About N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide

N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 19258782) has the molecular formula C20H14IN3O3S and a molecular weight of 503.32 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID19258782
Molecular FormulaC20H14IN3O3S
Molecular Weight503.32 g/mol
Exact Mass502.98
IUPAC NameN-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(I)cn1)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H14IN3O3S/c21-16-8-11-19(22-12-16)24-28(25,26)17-9-6-15(7-10-17)20-23-13-18(27-20)14-4-2-1-3-5-14/h1-13H,(H,22,24)
InChIKeyRWNFNYBOUDONLG-UHFFFAOYSA-N
XLogP4.81
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258675
2-(4-iodophenyl)-5-phenyl-1,3-oxazole
CID 19894925
4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzamide
CID 19258755
N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258693
N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258754
4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 19258749
N-(4-chloro-2-nitrophenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258756
5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 19258655
N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258829
2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate
CID 19258628
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258799
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258689

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (CID 19258782) is N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(I)cn1)c1ccc(-c2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is RWNFNYBOUDONLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14IN3O3S/c21-16-8-11-19(22-12-16)24-28(25,26)17-9-6-15(7-10-17)20-23-13-18(27-20)14-4-2-1-3-5-14/h1-13H,(H,22,24).
What are the key properties of N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 503.32 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 19258782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).