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

C18H20N2O3SSi — CID 11999248

IUPAC4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESC[Si](C)(C)c1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O3SSi/c1-25(2,3)18-16(13-9-11-15(12-10-13)24(19,21)22)17(20-23-18)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,19,21,22)
InChIKeyAZBVBXATZZJLBI-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.20
Rot. Bonds4

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

4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 11999248) has the molecular formula C18H20N2O3SSi and a molecular weight of 372.52 g/mol. Its IUPAC name is 4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID11999248
Molecular FormulaC18H20N2O3SSi
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESC[Si](C)(C)c1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O3SSi/c1-25(2,3)18-16(13-9-11-15(12-10-13)24(19,21)22)17(20-23-18)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,19,21,22)
InChIKeyAZBVBXATZZJLBI-UHFFFAOYSA-N
XLogP3.20
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 11999248) is 4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide is C[Si](C)(C)c1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is AZBVBXATZZJLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3SSi/c1-25(2,3)18-16(13-9-11-15(12-10-13)24(19,21)22)17(20-23-18)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,19,21,22).
What are the key properties of 4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide?
4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 372.52 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-5-trimethylsilyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 11999248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).