4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine

C16H17NO5S2 — CID 1076712

IUPAC4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H17NO5S2/c18-23(19,14-5-2-1-3-6-14)15-7-4-8-16(13-15)24(20,21)17-9-11-22-12-10-17/h1-8,13H,9-12H2
InChIKeyILCUVDQMJBSTKO-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.54
Rot. Bonds4

About 4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine

4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine (PubChem CID 1076712) has the molecular formula C16H17NO5S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine
PubChem CID1076712
Molecular FormulaC16H17NO5S2
Molecular Weight367.45 g/mol
Exact Mass367.05
IUPAC Name4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H17NO5S2/c18-23(19,14-5-2-1-3-6-14)15-7-4-8-16(13-15)24(20,21)17-9-11-22-12-10-17/h1-8,13H,9-12H2
InChIKeyILCUVDQMJBSTKO-UHFFFAOYSA-N
XLogP1.54
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine (CID 1076712) is 4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine is O=S(=O)(c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine?
The InChIKey is ILCUVDQMJBSTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S2/c18-23(19,14-5-2-1-3-6-14)15-7-4-8-16(13-15)24(20,21)17-9-11-22-12-10-17/h1-8,13H,9-12H2.
What are the key properties of 4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine?
4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine has a molecular weight of 367.45 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzenesulfonyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 1076712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).