[3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol

C12H15F2NO4S — CID 105116842

IUPAC[3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol
SMILESCC1CN(S(=O)(=O)c2cc(CO)cc(F)c2F)CCO1
InChIInChI=1S/C12H15F2NO4S/c1-8-6-15(2-3-19-8)20(17,18)11-5-9(7-16)4-10(13)12(11)14/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyFSHKWQVSHNAVQD-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.87
Rot. Bonds3

About [3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol

[3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol (PubChem CID 105116842) has the molecular formula C12H15F2NO4S and a molecular weight of 307.32 g/mol. Its IUPAC name is [3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol
PubChem CID105116842
Molecular FormulaC12H15F2NO4S
Molecular Weight307.32 g/mol
Exact Mass307.07
IUPAC Name[3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol
SMILESCC1CN(S(=O)(=O)c2cc(CO)cc(F)c2F)CCO1
InChIInChI=1S/C12H15F2NO4S/c1-8-6-15(2-3-19-8)20(17,18)11-5-9(7-16)4-10(13)12(11)14/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyFSHKWQVSHNAVQD-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(Morpholine-4-sulfonyl)phenyl]methanol
CID 2452209
N,N-diethyl-3-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]benzenesulfonamide
CID 294258
N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 23857041
4-{[3-(Methoxymethyl)phenyl]sulfonyl}morpholine
CID 60181998
(1R,2S)-2-morpholin-4-ylsulfonyl-1-phenylpropan-1-ol
CID 134969238
2-fluoro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3457607
N-(2-hydroxy-2-phenylethyl)-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 3828228
2,6-difluoro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3873163
3-fluoro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 24125101
4-Fluoro-3-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 43080644
2-Fluoro-5-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 43081928
2,6-Difluoro-3-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 43098747

Frequently Asked Questions

What is the IUPAC name of [3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol?
The IUPAC name of [3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol (CID 105116842) is [3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol?
The canonical SMILES for [3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol is CC1CN(S(=O)(=O)c2cc(CO)cc(F)c2F)CCO1.
What is the InChIKey of [3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol?
The InChIKey is FSHKWQVSHNAVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4S/c1-8-6-15(2-3-19-8)20(17,18)11-5-9(7-16)4-10(13)12(11)14/h4-5,8,16H,2-3,6-7H2,1H3.
What are the key properties of [3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol?
[3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol has a molecular weight of 307.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 105116842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).