N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide

C11H14F2N2O3S — CID 81313587

IUPACN-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide
SMILESNc1cc(F)cc(F)c1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H14F2N2O3S/c12-7-5-9(13)11(10(14)6-7)15-19(16,17)8-1-3-18-4-2-8/h5-6,8,15H,1-4,14H2
InChIKeyGWDJSAUJQQVCTM-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.47
Rot. Bonds3

About N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide

N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide (PubChem CID 81313587) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide
PubChem CID81313587
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC NameN-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide
SMILESNc1cc(F)cc(F)c1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H14F2N2O3S/c12-7-5-9(13)11(10(14)6-7)15-19(16,17)8-1-3-18-4-2-8/h5-6,8,15H,1-4,14H2
InChIKeyGWDJSAUJQQVCTM-UHFFFAOYSA-N
XLogP1.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide
CID 62048974
N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide
CID 62047703
N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
CID 55037574
N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide
CID 81314037
N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 81314823
N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide
CID 114270035
2-fluoro-N'-hydroxy-5-(oxan-4-ylsulfonylamino)benzenecarboximidamide
CID 76939387
N-(6-amino-3-pyridinyl)oxane-4-sulfonamide
CID 62047735
N-(2-amino-4,6-difluorophenyl)thiophene-2-sulfonamide
CID 81314553
N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
CID 55031487
N-(2-amino-4,6-difluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 81304571
4-chloro-2-(oxan-4-ylsulfonyl)aniline
CID 81180858

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide (CID 81313587) is N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide is Nc1cc(F)cc(F)c1NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide?
The InChIKey is GWDJSAUJQQVCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c12-7-5-9(13)11(10(14)6-7)15-19(16,17)8-1-3-18-4-2-8/h5-6,8,15H,1-4,14H2.
What are the key properties of N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide?
N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide has a molecular weight of 292.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide is sourced from PubChem (CID 81313587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).