4-(4-methylphenyl)sulfonyl-2-phenylmorpholine

C17H19NO3S — CID 16895247

IUPAC4-(4-methylphenyl)sulfonyl-2-phenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(19,20)18-11-12-21-17(13-18)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyKVKAXUNZCSWGSV-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.76
Rot. Bonds3

About 4-(4-methylphenyl)sulfonyl-2-phenylmorpholine

4-(4-methylphenyl)sulfonyl-2-phenylmorpholine (PubChem CID 16895247) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-2-phenylmorpholine
PubChem CID16895247
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name4-(4-methylphenyl)sulfonyl-2-phenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(19,20)18-11-12-21-17(13-18)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyKVKAXUNZCSWGSV-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-2-phenylmorpholine (CID 16895247) is 4-(4-methylphenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-2-phenylmorpholine is Cc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is KVKAXUNZCSWGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(19,20)18-11-12-21-17(13-18)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-2-phenylmorpholine?
4-(4-methylphenyl)sulfonyl-2-phenylmorpholine has a molecular weight of 317.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 16895247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).