4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine

C17H18FNO4S — CID 16895256

IUPAC4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C17H18FNO4S/c1-22-16-8-7-14(11-15(16)18)24(20,21)19-9-10-23-17(12-19)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3
InChIKeyWDDDWBZECCCFBS-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.60
Rot. Bonds4

About 4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine

4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine (PubChem CID 16895256) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine
PubChem CID16895256
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C17H18FNO4S/c1-22-16-8-7-14(11-15(16)18)24(20,21)19-9-10-23-17(12-19)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3
InChIKeyWDDDWBZECCCFBS-UHFFFAOYSA-N
XLogP2.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine (CID 16895256) is 4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine is COc1ccc(S(=O)(=O)N2CCOC(c3ccccc3)C2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is WDDDWBZECCCFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-22-16-8-7-14(11-15(16)18)24(20,21)19-9-10-23-17(12-19)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine?
4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine has a molecular weight of 351.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 16895256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).