4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane

C18H19ClO4S — CID 139746766

IUPAC4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane
SMILESO=S(=O)(CC1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClO4S/c19-15-1-3-16(4-2-15)23-17-5-7-18(8-6-17)24(20,21)13-14-9-11-22-12-10-14/h1-8,14H,9-13H2
InChIKeyOCMNNHJTHJJAKY-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.33
Rot. Bonds5

About 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane

4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane (PubChem CID 139746766) has the molecular formula C18H19ClO4S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane.

Molecular Properties

Compound Name4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane
PubChem CID139746766
Molecular FormulaC18H19ClO4S
Molecular Weight366.87 g/mol
Exact Mass366.07
IUPAC Name4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane
SMILESO=S(=O)(CC1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClO4S/c19-15-1-3-16(4-2-15)23-17-5-7-18(8-6-17)24(20,21)13-14-9-11-22-12-10-14/h1-8,14H,9-13H2
InChIKeyOCMNNHJTHJJAKY-UHFFFAOYSA-N
XLogP4.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane?
The IUPAC name of 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane (CID 139746766) is 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane.
What is the SMILES notation for 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane?
The canonical SMILES for 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane is O=S(=O)(CC1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane?
The InChIKey is OCMNNHJTHJJAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO4S/c19-15-1-3-16(4-2-15)23-17-5-7-18(8-6-17)24(20,21)13-14-9-11-22-12-10-14/h1-8,14H,9-13H2.
What are the key properties of 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane?
4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane has a molecular weight of 366.87 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane is sourced from PubChem (CID 139746766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).