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

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Related Compounds

(6R)-4-(4-fluorophenyl)sulfonyl-6-(2-methoxyethoxy)-1,4-oxazepane
CID 75367821
2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
CID 110643937
3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine
CID 46029113
4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane
CID 162906955
1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine
CID 91918358
4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine
CID 155269127
phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone
CID 75367813
3-phenylmethoxyazetidine-1-sulfonyl fluoride
CID 134969133
3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine
CID 53089711
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073

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).