2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide

C11H15FN2O3S — CID 55189317

IUPAC2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C11H15FN2O3S/c12-9-4-1-5-10(13)11(9)18(15,16)14-8-3-2-6-17-7-8/h1,4-5,8,14H,2-3,6-7,13H2
InChIKeyXTIWOGKHGZKOFI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.87
Rot. Bonds3

About 2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide

2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide (PubChem CID 55189317) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide
PubChem CID55189317
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C11H15FN2O3S/c12-9-4-1-5-10(13)11(9)18(15,16)14-8-3-2-6-17-7-8/h1,4-5,8,14H,2-3,6-7,13H2
InChIKeyXTIWOGKHGZKOFI-UHFFFAOYSA-N
XLogP0.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.87
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

6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360421
3-fluoro-N-(oxan-3-yl)pyridine-2-sulfonamide
CID 103300080
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide
CID 63359825
3-N-(oxan-3-yl)benzene-1,3-disulfonamide
CID 63361521
3-amino-4-fluoro-5-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 115421592
N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119970454
2-amino-4,5-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360464
2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
CID 62406259
2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
CID 43452334
methyl 3-amino-4-(oxan-3-ylsulfamoyl)benzoate
CID 63360186
3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 55190032

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide (CID 55189317) is 2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide is Nc1cccc(F)c1S(=O)(=O)NC1CCCOC1.
What is the InChIKey of 2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide?
The InChIKey is XTIWOGKHGZKOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c12-9-4-1-5-10(13)11(9)18(15,16)14-8-3-2-6-17-7-8/h1,4-5,8,14H,2-3,6-7,13H2.
What are the key properties of 2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide?
2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 55189317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).