5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one

C24H27NO5S — CID 12941355

IUPAC5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2C(OCc3ccc(S(=O)(=O)c4ccccc4)cc3)CC1C2N1CCOCC1
InChIInChI=1S/C24H27NO5S/c26-22-14-21-23(15-20(22)24(21)25-10-12-29-13-11-25)30-16-17-6-8-19(9-7-17)31(27,28)18-4-2-1-3-5-18/h1-9,20-21,23-24H,10-16H2
InChIKeyYQOJTEJIDDATNR-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.71
Rot. Bonds6

About 5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one

5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one (PubChem CID 12941355) has the molecular formula C24H27NO5S and a molecular weight of 441.55 g/mol. Its IUPAC name is 5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one
PubChem CID12941355
Molecular FormulaC24H27NO5S
Molecular Weight441.55 g/mol
Exact Mass441.16
IUPAC Name5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2C(OCc3ccc(S(=O)(=O)c4ccccc4)cc3)CC1C2N1CCOCC1
InChIInChI=1S/C24H27NO5S/c26-22-14-21-23(15-20(22)24(21)25-10-12-29-13-11-25)30-16-17-6-8-19(9-7-17)31(27,28)18-4-2-1-3-5-18/h1-9,20-21,23-24H,10-16H2
InChIKeyYQOJTEJIDDATNR-UHFFFAOYSA-N
XLogP2.71
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one 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 5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one (CID 12941355) is 5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one is O=C1CC2C(OCc3ccc(S(=O)(=O)c4ccccc4)cc3)CC1C2N1CCOCC1.
What is the InChIKey of 5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one?
The InChIKey is YQOJTEJIDDATNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5S/c26-22-14-21-23(15-20(22)24(21)25-10-12-29-13-11-25)30-16-17-6-8-19(9-7-17)31(27,28)18-4-2-1-3-5-18/h1-9,20-21,23-24H,10-16H2.
What are the key properties of 5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one?
5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one has a molecular weight of 441.55 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 12941355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).