3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide

C13H18FNO3S — CID 71648184

IUPAC3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
SMILESCNS(=O)(=O)C1CCOCC1Cc1ccccc1F
InChIInChI=1S/C13H18FNO3S/c1-15-19(16,17)13-6-7-18-9-11(13)8-10-4-2-3-5-12(10)14/h2-5,11,13,15H,6-9H2,1H3
InChIKeyVPFNPIUGTFLKQN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.32
Rot. Bonds4

About 3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide

3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide (PubChem CID 71648184) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
PubChem CID71648184
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
SMILESCNS(=O)(=O)C1CCOCC1Cc1ccccc1F
InChIInChI=1S/C13H18FNO3S/c1-15-19(16,17)13-6-7-18-9-11(13)8-10-4-2-3-5-12(10)14/h2-5,11,13,15H,6-9H2,1H3
InChIKeyVPFNPIUGTFLKQN-UHFFFAOYSA-N
XLogP1.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175198
(3S,4R)-N-methyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide
CID 97168021
(3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide
CID 97169061
(3R,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide
CID 97169060
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168004
(3R,4S)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167910
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167911
(3R,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167909
3-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648171
N-ethyl-3-[(2-methylphenyl)methyl]oxane-4-sulfonamide
CID 71635460
(3R,4S)-3-[(3-chlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168013
(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97167993

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide (CID 71648184) is 3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide is CNS(=O)(=O)C1CCOCC1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide?
The InChIKey is VPFNPIUGTFLKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-15-19(16,17)13-6-7-18-9-11(13)8-10-4-2-3-5-12(10)14/h2-5,11,13,15H,6-9H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide?
3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 71648184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).