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

C23H28N2O3S — CID 19258829

IUPACN-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H28N2O3S/c1-2-3-4-5-6-10-17-25-29(26,27)21-15-13-20(14-16-21)23-24-18-22(28-23)19-11-8-7-9-12-19/h7-9,11-16,18,25H,2-6,10,17H2,1H3
InChIKeyUHWBTQPQTSTSLC-UHFFFAOYSA-N
MW412.56 g/mol
LogP5.65
Rot. Bonds11

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

N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 19258829) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID19258829
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H28N2O3S/c1-2-3-4-5-6-10-17-25-29(26,27)21-15-13-20(14-16-21)23-24-18-22(28-23)19-11-8-7-9-12-19/h7-9,11-16,18,25H,2-6,10,17H2,1H3
InChIKeyUHWBTQPQTSTSLC-UHFFFAOYSA-N
XLogP5.65
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258693
N-tridecylbenzenesulfonamide
CID 3514704
N-(2-aminoethyl)-4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide
CID 10194069
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258799
N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258675
4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide
CID 169334601
N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258782
N-(3-methoxypropyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958850
N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258754
2-(1-ethylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole;4-methylbenzenesulfonate
CID 17389446
4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzamide
CID 19258755

Frequently Asked Questions

What is the IUPAC name of N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (CID 19258829) is N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is CCCCCCCCNS(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is UHWBTQPQTSTSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-2-3-4-5-6-10-17-25-29(26,27)21-15-13-20(14-16-21)23-24-18-22(28-23)19-11-8-7-9-12-19/h7-9,11-16,18,25H,2-6,10,17H2,1H3.
What are the key properties of N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 412.56 g/mol, XLogP of 5.65, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 19258829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).