4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane

C17H18ClNO4S — CID 162906955

IUPAC4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCOCC(Oc2ccccc2)C1
InChIInChI=1S/C17H18ClNO4S/c18-14-6-8-17(9-7-14)24(20,21)19-10-11-22-13-16(12-19)23-15-4-2-1-3-5-15/h1-9,16H,10-13H2
InChIKeyKGPMBVQPFBYFIV-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.81
Rot. Bonds4

About 4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane

4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane (PubChem CID 162906955) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane
PubChem CID162906955
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCOCC(Oc2ccccc2)C1
InChIInChI=1S/C17H18ClNO4S/c18-14-6-8-17(9-7-14)24(20,21)19-10-11-22-13-16(12-19)23-15-4-2-1-3-5-15/h1-9,16H,10-13H2
InChIKeyKGPMBVQPFBYFIV-UHFFFAOYSA-N
XLogP2.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane (CID 162906955) is 4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane is O=S(=O)(c1ccc(Cl)cc1)N1CCOCC(Oc2ccccc2)C1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane?
The InChIKey is KGPMBVQPFBYFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c18-14-6-8-17(9-7-14)24(20,21)19-10-11-22-13-16(12-19)23-15-4-2-1-3-5-15/h1-9,16H,10-13H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane?
4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane has a molecular weight of 367.85 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane is sourced from PubChem (CID 162906955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).