4-[4-(benzenesulfonyl)phenyl]morpholine

C16H17NO3S — CID 726898

IUPAC4-[4-(benzenesulfonyl)phenyl]morpholine
SMILESO=S(=O)(c1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H17NO3S/c18-21(19,15-4-2-1-3-5-15)16-8-6-14(7-9-16)17-10-12-20-13-11-17/h1-9H,10-13H2
InChIKeyZWSUKRZVFBKPAE-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.36
Rot. Bonds3

About 4-[4-(benzenesulfonyl)phenyl]morpholine

4-[4-(benzenesulfonyl)phenyl]morpholine (PubChem CID 726898) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)phenyl]morpholine
PubChem CID726898
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-[4-(benzenesulfonyl)phenyl]morpholine
SMILESO=S(=O)(c1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H17NO3S/c18-21(19,15-4-2-1-3-5-15)16-8-6-14(7-9-16)17-10-12-20-13-11-17/h1-9H,10-13H2
InChIKeyZWSUKRZVFBKPAE-UHFFFAOYSA-N
XLogP2.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)phenyl]morpholine?
The IUPAC name of 4-[4-(benzenesulfonyl)phenyl]morpholine (CID 726898) is 4-[4-(benzenesulfonyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(benzenesulfonyl)phenyl]morpholine?
The canonical SMILES for 4-[4-(benzenesulfonyl)phenyl]morpholine is O=S(=O)(c1ccccc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(benzenesulfonyl)phenyl]morpholine?
The InChIKey is ZWSUKRZVFBKPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-21(19,15-4-2-1-3-5-15)16-8-6-14(7-9-16)17-10-12-20-13-11-17/h1-9H,10-13H2.
What are the key properties of 4-[4-(benzenesulfonyl)phenyl]morpholine?
4-[4-(benzenesulfonyl)phenyl]morpholine has a molecular weight of 303.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)phenyl]morpholine is sourced from PubChem (CID 726898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).