4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine

C16H15F2NO3S — CID 16895232

IUPAC4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H15F2NO3S/c17-13-6-7-14(18)16(10-13)23(20,21)19-8-9-22-15(11-19)12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2
InChIKeyOBOOLSRSXIIQJC-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.73
Rot. Bonds3

About 4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine

4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine (PubChem CID 16895232) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine
PubChem CID16895232
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H15F2NO3S/c17-13-6-7-14(18)16(10-13)23(20,21)19-8-9-22-15(11-19)12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2
InChIKeyOBOOLSRSXIIQJC-UHFFFAOYSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of 4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine (CID 16895232) is 4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for 4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for 4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine is O=S(=O)(c1cc(F)ccc1F)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is OBOOLSRSXIIQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c17-13-6-7-14(18)16(10-13)23(20,21)19-8-9-22-15(11-19)12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2.
What are the key properties of 4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine?
4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine has a molecular weight of 339.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 16895232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).