4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide

C12H17FN2O3S — CID 70855280

IUPAC4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide
SMILESCNS(=O)(=O)C1COCCC1(N)c1ccccc1F
InChIInChI=1S/C12H17FN2O3S/c1-15-19(16,17)11-8-18-7-6-12(11,14)9-4-2-3-5-10(9)13/h2-5,11,15H,6-8,14H2,1H3
InChIKeyXPXMXVYSBXEYRJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.32
Rot. Bonds3

About 4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide

4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide (PubChem CID 70855280) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide.

Molecular Properties

Compound Name4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide
PubChem CID70855280
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide
SMILESCNS(=O)(=O)C1COCCC1(N)c1ccccc1F
InChIInChI=1S/C12H17FN2O3S/c1-15-19(16,17)11-8-18-7-6-12(11,14)9-4-2-3-5-10(9)13/h2-5,11,15H,6-8,14H2,1H3
InChIKeyXPXMXVYSBXEYRJ-UHFFFAOYSA-N
XLogP0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)propane-1-sulfonamide
CID 45561173
2-fluoro-N-(4-phenyloxan-4-yl)benzenesulfonamide
CID 53595627
N-[(2S)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide
CID 100625473
N-[2-(3-fluorophenyl)propan-2-yl]-3-morpholin-4-ylpropane-1-sulfonamide
CID 121585745
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-1-(oxan-4-yl)methanesulfonamide
CID 164629917
N-[(2R,3R)-4-(cyanomethoxy)-3-fluoro-2-(2-fluorophenyl)butan-2-yl]-2-methylpropane-2-sulfinamide
CID 67467172
(R)-N-[(2R,3R)-4-(cyanomethoxy)-3-fluoro-2-(2-fluorophenyl)butan-2-yl]-2-methylpropane-2-sulfinamide
CID 67467173
N-[(3R)-1-(cyanomethoxy)-2,2-difluoro-3-(2-fluorophenyl)pentan-3-yl]-2-methylpropane-2-sulfinamide
CID 67468356
2-[(3R)-3-(tert-butylsulfamoylamino)-2,2-difluoro-3-(2-fluorophenyl)pentoxy]acetonitrile
CID 67468373
(2R)-2-amino-2-(2,4-difluorophenyl)-N-methylpropane-1-sulfonamide
CID 68111249
(5R,6R)-5-(2,5-difluorophenyl)-6-(2-methoxyethyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 68111566
(R)-N-[(2S,3S)-1,3-difluoro-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 70847687

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide?
The IUPAC name of 4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide (CID 70855280) is 4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide.
What is the SMILES notation for 4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide?
The canonical SMILES for 4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide is CNS(=O)(=O)C1COCCC1(N)c1ccccc1F.
What is the InChIKey of 4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide?
The InChIKey is XPXMXVYSBXEYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-15-19(16,17)11-8-18-7-6-12(11,14)9-4-2-3-5-10(9)13/h2-5,11,15H,6-8,14H2,1H3.
What are the key properties of 4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide?
4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide is sourced from PubChem (CID 70855280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).