2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide

C12H13F4NO4S — CID 126808184

IUPAC2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCOC1)c1c(F)cccc1OC(F)(F)F
InChIInChI=1S/C12H13F4NO4S/c13-9-4-1-5-10(21-12(14,15)16)11(9)22(18,19)17-8-3-2-6-20-7-8/h1,4-5,8,17H,2-3,6-7H2/t8-/m1/s1
InChIKeyOETDFFCFYIBJML-MRVPVSSYSA-N
MW343.30 g/mol
LogP2.18
Rot. Bonds4

About 2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide

2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide (PubChem CID 126808184) has the molecular formula C12H13F4NO4S and a molecular weight of 343.30 g/mol. Its IUPAC name is 2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide
PubChem CID126808184
Molecular FormulaC12H13F4NO4S
Molecular Weight343.30 g/mol
Exact Mass343.05
IUPAC Name2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCOC1)c1c(F)cccc1OC(F)(F)F
InChIInChI=1S/C12H13F4NO4S/c13-9-4-1-5-10(21-12(14,15)16)11(9)22(18,19)17-8-3-2-6-20-7-8/h1,4-5,8,17H,2-3,6-7H2/t8-/m1/s1
InChIKeyOETDFFCFYIBJML-MRVPVSSYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide (CID 126808184) is 2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(N[C@@H]1CCCOC1)c1c(F)cccc1OC(F)(F)F.
What is the InChIKey of 2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is OETDFFCFYIBJML-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13F4NO4S/c13-9-4-1-5-10(21-12(14,15)16)11(9)22(18,19)17-8-3-2-6-20-7-8/h1,4-5,8,17H,2-3,6-7H2/t8-/m1/s1.
What are the key properties of 2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide?
2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 343.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3R)-oxan-3-yl]-6-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 126808184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).