(6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane

C18H20FNO5S — CID 75367745

IUPAC(6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane
SMILESCOc1ccc(O[C@H]2COCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H20FNO5S/c1-23-15-4-6-16(7-5-15)25-17-12-20(10-11-24-13-17)26(21,22)18-8-2-14(19)3-9-18/h2-9,17H,10-13H2,1H3/t17-/m1/s1
InChIKeyZDYHMIISQLNBPO-QGZVFWFLSA-N
MW381.43 g/mol
LogP2.30
Rot. Bonds5

About (6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane

(6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane (PubChem CID 75367745) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is (6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane
PubChem CID75367745
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Name(6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane
SMILESCOc1ccc(O[C@H]2COCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H20FNO5S/c1-23-15-4-6-16(7-5-15)25-17-12-20(10-11-24-13-17)26(21,22)18-8-2-14(19)3-9-18/h2-9,17H,10-13H2,1H3/t17-/m1/s1
InChIKeyZDYHMIISQLNBPO-QGZVFWFLSA-N
XLogP2.30
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane?
The IUPAC name of (6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane (CID 75367745) is (6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane.
What is the SMILES notation for (6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane?
The canonical SMILES for (6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane is COc1ccc(O[C@H]2COCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of (6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane?
The InChIKey is ZDYHMIISQLNBPO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-23-15-4-6-16(7-5-15)25-17-12-20(10-11-24-13-17)26(21,22)18-8-2-14(19)3-9-18/h2-9,17H,10-13H2,1H3/t17-/m1/s1.
What are the key properties of (6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane?
(6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane has a molecular weight of 381.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenoxy)-1,4-oxazepane is sourced from PubChem (CID 75367745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).