(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone

C12H14FNO4S2 — CID 103888895

IUPAC(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H14FNO4S2/c1-20(17,18)11-7-19-5-4-14(11)12(16)9-3-2-8(13)6-10(9)15/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyYXESABSVYMNRPV-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.09
Rot. Bonds2

About (4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone

(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 103888895) has the molecular formula C12H14FNO4S2 and a molecular weight of 319.38 g/mol. Its IUPAC name is (4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
PubChem CID103888895
Molecular FormulaC12H14FNO4S2
Molecular Weight319.38 g/mol
Exact Mass319.03
IUPAC Name(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H14FNO4S2/c1-20(17,18)11-7-19-5-4-14(11)12(16)9-3-2-8(13)6-10(9)15/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyYXESABSVYMNRPV-UHFFFAOYSA-N
XLogP1.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of (4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone (CID 103888895) is (4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for (4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone is CS(=O)(=O)C1CSCCN1C(=O)c1ccc(F)cc1O.
What is the InChIKey of (4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is YXESABSVYMNRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S2/c1-20(17,18)11-7-19-5-4-14(11)12(16)9-3-2-8(13)6-10(9)15/h2-3,6,11,15H,4-5,7H2,1H3.
What are the key properties of (4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 319.38 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 103888895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).