[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

C12H15F2NO4S — CID 102934845

IUPAC[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2c(F)cccc2F)CC(CO)O1
InChIInChI=1S/C12H15F2NO4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)12-10(13)3-2-4-11(12)14/h2-4,8-9,16H,5-7H2,1H3
InChIKeyNHBUUTGTWWDWKS-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.74
Rot. Bonds3

About [4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102934845) has the molecular formula C12H15F2NO4S and a molecular weight of 307.32 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102934845
Molecular FormulaC12H15F2NO4S
Molecular Weight307.32 g/mol
Exact Mass307.07
IUPAC Name[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2c(F)cccc2F)CC(CO)O1
InChIInChI=1S/C12H15F2NO4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)12-10(13)3-2-4-11(12)14/h2-4,8-9,16H,5-7H2,1H3
InChIKeyNHBUUTGTWWDWKS-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol
CID 103300552
[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931883
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931873
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 102932309
[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934895
[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102933332
(4-ethylsulfonyl-6-methylmorpholin-2-yl)methanol
CID 102934875
[4-(2-amino-5-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931866
2-(chloromethyl)-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 107329426
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 102934020
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102934845) is [4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is CC1CN(S(=O)(=O)c2c(F)cccc2F)CC(CO)O1.
What is the InChIKey of [4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is NHBUUTGTWWDWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4S/c1-8-5-15(6-9(7-16)19-8)20(17,18)12-10(13)3-2-4-11(12)14/h2-4,8-9,16H,5-7H2,1H3.
What are the key properties of [4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol has a molecular weight of 307.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102934845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).