1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide

C13H18FNO4S — CID 107271549

IUPAC1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide
SMILESCC1OCCC1(O)CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO4S/c1-10-13(16,6-7-19-10)9-15-20(17,18)8-11-2-4-12(14)5-3-11/h2-5,10,15-16H,6-9H2,1H3
InChIKeyGBAYYPOHRYBDGL-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.79
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide (PubChem CID 107271549) has the molecular formula C13H18FNO4S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide
PubChem CID107271549
Molecular FormulaC13H18FNO4S
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide
SMILESCC1OCCC1(O)CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO4S/c1-10-13(16,6-7-19-10)9-15-20(17,18)8-11-2-4-12(14)5-3-11/h2-5,10,15-16H,6-9H2,1H3
InChIKeyGBAYYPOHRYBDGL-UHFFFAOYSA-N
XLogP0.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717852
2-chloro-5-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271388
2,4,6-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271538
4-(2-chloroethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271443
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271459
N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
CID 106100964
3-[(dimethylsulfamoylamino)methyl]-3-hydroxy-2-methyloxolane
CID 107271476
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 107271510
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 106099373
2-cyano-3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271547

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide (CID 107271549) is 1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide is CC1OCCC1(O)CNS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide?
The InChIKey is GBAYYPOHRYBDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-10-13(16,6-7-19-10)9-15-20(17,18)8-11-2-4-12(14)5-3-11/h2-5,10,15-16H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide has a molecular weight of 303.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 107271549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).