4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide

C11H14F2N2O3S — CID 54888503

IUPAC4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)NC2CCOCC2)c(F)c1
InChIInChI=1S/C11H14F2N2O3S/c12-9-5-7(14)6-10(13)11(9)19(16,17)15-8-1-3-18-4-2-8/h5-6,8,15H,1-4,14H2
InChIKeyVTHXAFVGEPDKHM-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.00
Rot. Bonds3

About 4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide

4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 54888503) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide
PubChem CID54888503
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)NC2CCOCC2)c(F)c1
InChIInChI=1S/C11H14F2N2O3S/c12-9-5-7(14)6-10(13)11(9)19(16,17)15-8-1-3-18-4-2-8/h5-6,8,15H,1-4,14H2
InChIKeyVTHXAFVGEPDKHM-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide (CID 54888503) is 4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide is Nc1cc(F)c(S(=O)(=O)NC2CCOCC2)c(F)c1.
What is the InChIKey of 4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is VTHXAFVGEPDKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c12-9-5-7(14)6-10(13)11(9)19(16,17)15-8-1-3-18-4-2-8/h5-6,8,15H,1-4,14H2.
What are the key properties of 4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide?
4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 292.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 54888503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).