(1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane

C11H11F2NO3S — CID 129353572

IUPAC(1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(c1c(F)cccc1F)N1C[C@H]2C[C@H]1CO2
InChIInChI=1S/C11H11F2NO3S/c12-9-2-1-3-10(13)11(9)18(15,16)14-5-8-4-7(14)6-17-8/h1-3,7-8H,4-6H2/t7-,8+/m0/s1
InChIKeyDHQJRTOZWKDUNE-JGVFFNPUSA-N
MW275.28 g/mol
LogP1.13
Rot. Bonds2

About (1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane

(1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 129353572) has the molecular formula C11H11F2NO3S and a molecular weight of 275.28 g/mol. Its IUPAC name is (1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID129353572
Molecular FormulaC11H11F2NO3S
Molecular Weight275.28 g/mol
Exact Mass275.04
IUPAC Name(1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESO=S(=O)(c1c(F)cccc1F)N1C[C@H]2C[C@H]1CO2
InChIInChI=1S/C11H11F2NO3S/c12-9-2-1-3-10(13)11(9)18(15,16)14-5-8-4-7(14)6-17-8/h1-3,7-8H,4-6H2/t7-,8+/m0/s1
InChIKeyDHQJRTOZWKDUNE-JGVFFNPUSA-N
XLogP1.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4S)-5-[2-(trifluoromethoxy)phenyl]sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129353252
(2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999632
(1R,4S)-5-(1-methylpyrazol-4-yl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129353163
5-[(3-methylphenyl)methylsulfonyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 122245178
2-(2,6-difluorophenyl)sulfonyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 71931391
1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 66203131
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 55647596
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
(4aS,8aR)-6-ethyl-1-(2-fluoro-6-methylphenyl)sulfonyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazine
CID 124848650
4-(2,3-difluoroanilino)-8-methyl-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)naphthalene-1-carbaldehyde
CID 88921304
(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415192

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 129353572) is (1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane is O=S(=O)(c1c(F)cccc1F)N1C[C@H]2C[C@H]1CO2.
What is the InChIKey of (1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is DHQJRTOZWKDUNE-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H11F2NO3S/c12-9-2-1-3-10(13)11(9)18(15,16)14-5-8-4-7(14)6-17-8/h1-3,7-8H,4-6H2/t7-,8+/m0/s1.
What are the key properties of (1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane?
(1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 275.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-5-(2,6-difluorophenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 129353572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).