4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane

C18H20FNO4S — CID 162795674

IUPAC4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCOCC(OCc2ccccc2)C1
InChIInChI=1S/C18H20FNO4S/c19-16-6-8-18(9-7-16)25(21,22)20-10-11-23-14-17(12-20)24-13-15-4-2-1-3-5-15/h1-9,17H,10-14H2
InChIKeyDFAYRZQAYJKUIA-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.43
Rot. Bonds5

About 4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane

4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane (PubChem CID 162795674) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane
PubChem CID162795674
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane
SMILESO=S(=O)(c1ccc(F)cc1)N1CCOCC(OCc2ccccc2)C1
InChIInChI=1S/C18H20FNO4S/c19-16-6-8-18(9-7-16)25(21,22)20-10-11-23-14-17(12-20)24-13-15-4-2-1-3-5-15/h1-9,17H,10-14H2
InChIKeyDFAYRZQAYJKUIA-UHFFFAOYSA-N
XLogP2.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane (CID 162795674) is 4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane is O=S(=O)(c1ccc(F)cc1)N1CCOCC(OCc2ccccc2)C1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane?
The InChIKey is DFAYRZQAYJKUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c19-16-6-8-18(9-7-16)25(21,22)20-10-11-23-14-17(12-20)24-13-15-4-2-1-3-5-15/h1-9,17H,10-14H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane?
4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane has a molecular weight of 365.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane is sourced from PubChem (CID 162795674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).