2-phenyl-4-(4-propylphenyl)sulfonylmorpholine

C19H23NO3S — CID 16895241

IUPAC2-phenyl-4-(4-propylphenyl)sulfonylmorpholine
SMILESCCCc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO3S/c1-2-6-16-9-11-18(12-10-16)24(21,22)20-13-14-23-19(15-20)17-7-4-3-5-8-17/h3-5,7-12,19H,2,6,13-15H2,1H3
InChIKeyVKACXJMCOMGVRM-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.40
Rot. Bonds5

About 2-phenyl-4-(4-propylphenyl)sulfonylmorpholine

2-phenyl-4-(4-propylphenyl)sulfonylmorpholine (PubChem CID 16895241) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-phenyl-4-(4-propylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-phenyl-4-(4-propylphenyl)sulfonylmorpholine
PubChem CID16895241
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-phenyl-4-(4-propylphenyl)sulfonylmorpholine
SMILESCCCc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO3S/c1-2-6-16-9-11-18(12-10-16)24(21,22)20-13-14-23-19(15-20)17-7-4-3-5-8-17/h3-5,7-12,19H,2,6,13-15H2,1H3
InChIKeyVKACXJMCOMGVRM-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-propylphenyl)sulfonylmorpholine?
The IUPAC name of 2-phenyl-4-(4-propylphenyl)sulfonylmorpholine (CID 16895241) is 2-phenyl-4-(4-propylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-phenyl-4-(4-propylphenyl)sulfonylmorpholine?
The canonical SMILES for 2-phenyl-4-(4-propylphenyl)sulfonylmorpholine is CCCc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 2-phenyl-4-(4-propylphenyl)sulfonylmorpholine?
The InChIKey is VKACXJMCOMGVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-2-6-16-9-11-18(12-10-16)24(21,22)20-13-14-23-19(15-20)17-7-4-3-5-8-17/h3-5,7-12,19H,2,6,13-15H2,1H3.
What are the key properties of 2-phenyl-4-(4-propylphenyl)sulfonylmorpholine?
2-phenyl-4-(4-propylphenyl)sulfonylmorpholine has a molecular weight of 345.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-propylphenyl)sulfonylmorpholine is sourced from PubChem (CID 16895241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).