(3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide

C12H16FNO3S — CID 97169061

IUPAC(3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide
SMILESNS(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1ccccc1F
InChIInChI=1S/C12H16FNO3S/c13-11-4-2-1-3-9(11)7-10-8-17-6-5-12(10)18(14,15)16/h1-4,10,12H,5-8H2,(H2,14,15,16)/t10-,12+/m0/s1
InChIKeyZQVATRVIONEKMI-CMPLNLGQSA-N
MW273.33 g/mol
LogP1.06
Rot. Bonds3

About (3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide

(3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide (PubChem CID 97169061) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is (3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide
PubChem CID97169061
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name(3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide
SMILESNS(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1ccccc1F
InChIInChI=1S/C12H16FNO3S/c13-11-4-2-1-3-9(11)7-10-8-17-6-5-12(10)18(14,15)16/h1-4,10,12H,5-8H2,(H2,14,15,16)/t10-,12+/m0/s1
InChIKeyZQVATRVIONEKMI-CMPLNLGQSA-N
XLogP1.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide
CID 97169060
3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide
CID 71649235
3-[(2-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648184
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175198
3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide
CID 71649230
(3S,4S)-3-[(2,5-dichlorophenyl)methyl]oxane-4-sulfonamide
CID 97169015
(3R,4S)-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
CID 97169046
(3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide
CID 97169032
(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
(3R,4S)-3-[(3-chlorophenyl)methyl]oxane-4-sulfonamide
CID 97169042

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide?
The IUPAC name of (3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide (CID 97169061) is (3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for (3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide?
The canonical SMILES for (3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide is NS(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1ccccc1F.
What is the InChIKey of (3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide?
The InChIKey is ZQVATRVIONEKMI-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-11-4-2-1-3-9(11)7-10-8-17-6-5-12(10)18(14,15)16/h1-4,10,12H,5-8H2,(H2,14,15,16)/t10-,12+/m0/s1.
What are the key properties of (3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide?
(3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 97169061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).