(6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane

C17H20N2O5S — CID 75411602

IUPAC(6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane
SMILESCOc1ccc(S(=O)(=O)N2CCOC[C@H](Oc3cccnc3)C2)cc1
InChIInChI=1S/C17H20N2O5S/c1-22-14-4-6-17(7-5-14)25(20,21)19-9-10-23-13-16(12-19)24-15-3-2-8-18-11-15/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m1/s1
InChIKeyRAHCZVJEBMJZNX-MRXNPFEDSA-N
MW364.42 g/mol
LogP1.56
Rot. Bonds5

About (6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane

(6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane (PubChem CID 75411602) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is (6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane
PubChem CID75411602
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name(6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane
SMILESCOc1ccc(S(=O)(=O)N2CCOC[C@H](Oc3cccnc3)C2)cc1
InChIInChI=1S/C17H20N2O5S/c1-22-14-4-6-17(7-5-14)25(20,21)19-9-10-23-13-16(12-19)24-15-3-2-8-18-11-15/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m1/s1
InChIKeyRAHCZVJEBMJZNX-MRXNPFEDSA-N
XLogP1.56
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane?
The IUPAC name of (6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane (CID 75411602) is (6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane.
What is the SMILES notation for (6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane?
The canonical SMILES for (6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane is COc1ccc(S(=O)(=O)N2CCOC[C@H](Oc3cccnc3)C2)cc1.
What is the InChIKey of (6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane?
The InChIKey is RAHCZVJEBMJZNX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-22-14-4-6-17(7-5-14)25(20,21)19-9-10-23-13-16(12-19)24-15-3-2-8-18-11-15/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of (6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane?
(6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane has a molecular weight of 364.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(4-methoxyphenyl)sulfonyl-6-pyridin-3-yloxy-1,4-oxazepane is sourced from PubChem (CID 75411602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).