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

C14H20FNO3S — CID 97166777

IUPAC(3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
SMILESCN(C)S(=O)(=O)[C@@H]1CCOC[C@H]1Cc1cccc(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/t12-,14-/m1/s1
InChIKeyADZQQMYWWKAQOM-TZMCWYRMSA-N
MW301.38 g/mol
LogP1.66
Rot. Bonds4

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

(3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide (PubChem CID 97166777) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is (3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
PubChem CID97166777
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name(3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
SMILESCN(C)S(=O)(=O)[C@@H]1CCOC[C@H]1Cc1cccc(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/t12-,14-/m1/s1
InChIKeyADZQQMYWWKAQOM-TZMCWYRMSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
The IUPAC name of (3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide (CID 97166777) is (3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide.
What is the SMILES notation for (3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
The canonical SMILES for (3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide is CN(C)S(=O)(=O)[C@@H]1CCOC[C@H]1Cc1cccc(F)c1.
What is the InChIKey of (3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
The InChIKey is ADZQQMYWWKAQOM-TZMCWYRMSA-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/t12-,14-/m1/s1.
What are the key properties of (3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
(3R,4R)-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 (3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide is sourced from PubChem (CID 97166777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).