3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide

C14H20FNO3S — CID 71646880

IUPAC3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCOCC1Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO3S/c1-16(2)20(17,18)14-6-7-19-10-12(14)8-11-4-3-5-13(15)9-11/h3-5,9,12,14H,6-8,10H2,1-2H3
InChIKeyADZQQMYWWKAQOM-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.66
Rot. Bonds4

About 3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide

3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide (PubChem CID 71646880) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
PubChem CID71646880
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCOCC1Cc1cccc(F)c1
InChIInChI=1S/C14H20FNO3S/c1-16(2)20(17,18)14-6-7-19-10-12(14)8-11-4-3-5-13(15)9-11/h3-5,9,12,14H,6-8,10H2,1-2H3
InChIKeyADZQQMYWWKAQOM-UHFFFAOYSA-N
XLogP1.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 97166777
(3R,4S)-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
CID 97169046
N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
CID 71648912
(3S,4S)-3-[(4-chlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 97166760
3-[(3-fluorophenyl)methyl]oxan-4-ol
CID 71649867
3-[(4-cyanophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 71646874
(3S,4S)-3-[(3-fluorophenyl)methyl]-N-propan-2-yloxan-4-amine
CID 97175070
(3S,4S)-3-[(2,5-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 97166740
3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 71646877
(3R,4S)-3-[(3-chlorophenyl)methyl]oxane-4-sulfonamide
CID 97169042
(3R,4S)-3-[(3-chlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168013
(3S,4R)-3-[(4-fluorophenyl)methyl]oxane-4-sulfonyl chloride
CID 98088993

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide (CID 71646880) is 3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide is CN(C)S(=O)(=O)C1CCOCC1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
The InChIKey is ADZQQMYWWKAQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-16(2)20(17,18)14-6-7-19-10-12(14)8-11-4-3-5-13(15)9-11/h3-5,9,12,14H,6-8,10H2,1-2H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide has a molecular weight of 301.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide is sourced from PubChem (CID 71646880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).