[3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol

C12H16FNO3S2 — CID 79187805

IUPAC[3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol
SMILESCC1CSCCN1S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C12H16FNO3S2/c1-9-8-18-5-4-14(9)19(16,17)12-3-2-10(7-15)6-11(12)13/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyHWWTXAMFWNGBES-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.44
Rot. Bonds3

About [3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol

[3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol (PubChem CID 79187805) has the molecular formula C12H16FNO3S2 and a molecular weight of 305.40 g/mol. Its IUPAC name is [3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol
PubChem CID79187805
Molecular FormulaC12H16FNO3S2
Molecular Weight305.40 g/mol
Exact Mass305.06
IUPAC Name[3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol
SMILESCC1CSCCN1S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C12H16FNO3S2/c1-9-8-18-5-4-14(9)19(16,17)12-3-2-10(7-15)6-11(12)13/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyHWWTXAMFWNGBES-UHFFFAOYSA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,5-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187737
[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 79187452
1-[3,4-difluoro-5-(3-methylthiomorpholin-4-yl)sulfonylphenyl]-N-methylmethanamine
CID 105122313
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
CID 79186814
3,4-difluoro-5-(3-methylthiomorpholin-4-yl)sulfonylaniline
CID 65022667
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-fluorophenyl]methanol
CID 104961473
2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000293
4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78980358
(3R)-4-(2,4-difluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 71419679
[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187593
[4-[3-(dimethylamino)piperidin-1-yl]sulfonyl-3-fluorophenyl]methanol
CID 79178793
3-fluoro-2-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylaniline
CID 116791900

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol?
The IUPAC name of [3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol (CID 79187805) is [3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol?
The canonical SMILES for [3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol is CC1CSCCN1S(=O)(=O)c1ccc(CO)cc1F.
What is the InChIKey of [3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol?
The InChIKey is HWWTXAMFWNGBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S2/c1-9-8-18-5-4-14(9)19(16,17)12-3-2-10(7-15)6-11(12)13/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of [3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol?
[3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol has a molecular weight of 305.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-methylthiomorpholin-4-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 79187805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).