2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine

C20H23NO3S — CID 16895261

IUPAC2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H23NO3S/c22-25(23,19-11-10-16-6-4-5-9-18(16)14-19)21-12-13-24-20(15-21)17-7-2-1-3-8-17/h1-3,7-8,10-11,14,20H,4-6,9,12-13,15H2
InChIKeyHFCGYRFIBACBEM-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.33
Rot. Bonds3

About 2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine

2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine (PubChem CID 16895261) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is 2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine.

Molecular Properties

Compound Name2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine
PubChem CID16895261
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H23NO3S/c22-25(23,19-11-10-16-6-4-5-9-18(16)14-19)21-12-13-24-20(15-21)17-7-2-1-3-8-17/h1-3,7-8,10-11,14,20H,4-6,9,12-13,15H2
InChIKeyHFCGYRFIBACBEM-UHFFFAOYSA-N
XLogP3.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine?
The IUPAC name of 2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine (CID 16895261) is 2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine.
What is the SMILES notation for 2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine?
The canonical SMILES for 2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine?
The InChIKey is HFCGYRFIBACBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c22-25(23,19-11-10-16-6-4-5-9-18(16)14-19)21-12-13-24-20(15-21)17-7-2-1-3-8-17/h1-3,7-8,10-11,14,20H,4-6,9,12-13,15H2.
What are the key properties of 2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine?
2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine has a molecular weight of 357.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)morpholine is sourced from PubChem (CID 16895261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).