4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine

C16H16FNO2S2 — CID 110711379

IUPAC4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCSC(c2ccccc2)C1
InChIInChI=1S/C16H16FNO2S2/c17-14-6-8-15(9-7-14)22(19,20)18-10-11-21-16(12-18)13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKeyOSAVRMLPEJERKU-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.30
Rot. Bonds3

About 4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine

4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine (PubChem CID 110711379) has the molecular formula C16H16FNO2S2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine
PubChem CID110711379
Molecular FormulaC16H16FNO2S2
Molecular Weight337.44 g/mol
Exact Mass337.06
IUPAC Name4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCSC(c2ccccc2)C1
InChIInChI=1S/C16H16FNO2S2/c17-14-6-8-15(9-7-14)22(19,20)18-10-11-21-16(12-18)13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKeyOSAVRMLPEJERKU-UHFFFAOYSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine (CID 110711379) is 4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine is O=S(=O)(c1ccc(F)cc1)N1CCSC(c2ccccc2)C1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine?
The InChIKey is OSAVRMLPEJERKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S2/c17-14-6-8-15(9-7-14)22(19,20)18-10-11-21-16(12-18)13-4-2-1-3-5-13/h1-9,16H,10-12H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine?
4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine has a molecular weight of 337.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2-phenylthiomorpholine is sourced from PubChem (CID 110711379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).