1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide

C13H18FNO4S — CID 91781878

IUPAC1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide
SMILESCO[C@@H]1CCOC[C@H]1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO4S/c1-18-13-6-7-19-8-12(13)15-20(16,17)9-10-2-4-11(14)5-3-10/h2-5,12-13,15H,6-9H2,1H3/t12-,13-/m1/s1
InChIKeyDJHNROMTSUPINJ-CHWSQXEVSA-N
MW303.35 g/mol
LogP1.05
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide

1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide (PubChem CID 91781878) has the molecular formula C13H18FNO4S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide
PubChem CID91781878
Molecular FormulaC13H18FNO4S
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide
SMILESCO[C@@H]1CCOC[C@H]1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO4S/c1-18-13-6-7-19-8-12(13)15-20(16,17)9-10-2-4-11(14)5-3-10/h2-5,12-13,15H,6-9H2,1H3/t12-,13-/m1/s1
InChIKeyDJHNROMTSUPINJ-CHWSQXEVSA-N
XLogP1.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Oxolan-2-ylmethyl)[benzylsulfonyl]amine
CID 2853608
1-(3-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]methanesulfonamide
CID 56765202
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-1-(4-(trifluoromethyl)phenyl)methanesulfonamide
CID 71796876
5-fluoro-N-[trans-4-methoxytetrahydro-2H-pyran-3-yl]-2-methylbenzenesulfonamide
CID 91797879
N-(1-methoxypropan-2-yl)-1-phenylmethanesulfonamide
CID 2905166
(E)-N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-2-(p-tolyl)ethenesulfonamide
CID 71796874
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide
CID 743627
1-(4-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)methanesulfonamide
CID 17741064
1-(2-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)methanesulfonamide
CID 17741238
1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide
CID 97239225
N-[(2S)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide
CID 100625473
N-[3-(2-fluorophenyl)cyclobutyl]-2-methyloxolane-3-sulfonamide
CID 136581524

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide (CID 91781878) is 1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide is CO[C@@H]1CCOC[C@H]1NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide?
The InChIKey is DJHNROMTSUPINJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-18-13-6-7-19-8-12(13)15-20(16,17)9-10-2-4-11(14)5-3-10/h2-5,12-13,15H,6-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide has a molecular weight of 303.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]methanesulfonamide is sourced from PubChem (CID 91781878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).