5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide

C11H15FN2O3S — CID 61116313

IUPAC5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)NCC2CCOC2)c1
InChIInChI=1S/C11H15FN2O3S/c12-10-2-1-9(13)5-11(10)18(15,16)14-6-8-3-4-17-7-8/h1-2,5,8,14H,3-4,6-7,13H2
InChIKeyRFGGVIJMFIYTQQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.72
Rot. Bonds4

About 5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide

5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 61116313) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID61116313
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)NCC2CCOC2)c1
InChIInChI=1S/C11H15FN2O3S/c12-10-2-1-9(13)5-11(10)18(15,16)14-6-8-3-4-17-7-8/h1-2,5,8,14H,3-4,6-7,13H2
InChIKeyRFGGVIJMFIYTQQ-UHFFFAOYSA-N
XLogP0.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.72
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

3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343305
5-amino-2-nitro-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 62159364
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 79187243
5-amino-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60855213
4-chloro-N-[[(3R)-oxolan-3-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 94061203
4-amino-2-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955
3-amino-5-chloro-2-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 114379143
2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062919
3-fluoro-4-[(oxolan-3-ylmethylamino)methyl]aniline
CID 107796628
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
2-amino-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62825249

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 61116313) is 5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide is Nc1ccc(F)c(S(=O)(=O)NCC2CCOC2)c1.
What is the InChIKey of 5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is RFGGVIJMFIYTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c12-10-2-1-9(13)5-11(10)18(15,16)14-6-8-3-4-17-7-8/h1-2,5,8,14H,3-4,6-7,13H2.
What are the key properties of 5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide?
5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61116313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).