(6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane

C18H21NO5S — CID 75411592

IUPAC(6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane
SMILESCOc1ccc(S(=O)(=O)N2CCOC[C@H](Oc3ccccc3)C2)cc1
InChIInChI=1S/C18H21NO5S/c1-22-15-7-9-18(10-8-15)25(20,21)19-11-12-23-14-17(13-19)24-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3/t17-/m1/s1
InChIKeyAYTDXHXGQKIAMC-QGZVFWFLSA-N
MW363.44 g/mol
LogP2.16
Rot. Bonds5

About (6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane

(6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane (PubChem CID 75411592) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is (6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane
PubChem CID75411592
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name(6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane
SMILESCOc1ccc(S(=O)(=O)N2CCOC[C@H](Oc3ccccc3)C2)cc1
InChIInChI=1S/C18H21NO5S/c1-22-15-7-9-18(10-8-15)25(20,21)19-11-12-23-14-17(13-19)24-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3/t17-/m1/s1
InChIKeyAYTDXHXGQKIAMC-QGZVFWFLSA-N
XLogP2.16
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane?
The IUPAC name of (6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane (CID 75411592) is (6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane.
What is the SMILES notation for (6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane?
The canonical SMILES for (6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane is COc1ccc(S(=O)(=O)N2CCOC[C@H](Oc3ccccc3)C2)cc1.
What is the InChIKey of (6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane?
The InChIKey is AYTDXHXGQKIAMC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-22-15-7-9-18(10-8-15)25(20,21)19-11-12-23-14-17(13-19)24-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3/t17-/m1/s1.
What are the key properties of (6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane?
(6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane has a molecular weight of 363.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(4-methoxyphenyl)sulfonyl-6-phenoxy-1,4-oxazepane is sourced from PubChem (CID 75411592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).