4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine

C23H23NO3S — CID 67099956

IUPAC4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine
SMILESO=S(=O)(c1ccccc1)C(c1ccccc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C23H23NO3S/c25-28(26,21-14-8-3-9-15-21)23(20-12-6-2-7-13-20)24-16-17-27-22(18-24)19-10-4-1-5-11-19/h1-15,22-23H,16-18H2
InChIKeyLMSYEBVSBVKPBQ-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.23
Rot. Bonds5

About 4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine

4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine (PubChem CID 67099956) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine
PubChem CID67099956
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine
SMILESO=S(=O)(c1ccccc1)C(c1ccccc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C23H23NO3S/c25-28(26,21-14-8-3-9-15-21)23(20-12-6-2-7-13-20)24-16-17-27-22(18-24)19-10-4-1-5-11-19/h1-15,22-23H,16-18H2
InChIKeyLMSYEBVSBVKPBQ-UHFFFAOYSA-N
XLogP4.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine?
The IUPAC name of 4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine (CID 67099956) is 4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine.
What is the SMILES notation for 4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine?
The canonical SMILES for 4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine is O=S(=O)(c1ccccc1)C(c1ccccc1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine?
The InChIKey is LMSYEBVSBVKPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c25-28(26,21-14-8-3-9-15-21)23(20-12-6-2-7-13-20)24-16-17-27-22(18-24)19-10-4-1-5-11-19/h1-15,22-23H,16-18H2.
What are the key properties of 4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine?
4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine has a molecular weight of 393.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(phenyl)methyl]-2-phenylmorpholine is sourced from PubChem (CID 67099956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).