2-fluoro-4-(oxan-3-ylsulfonyl)aniline

C11H14FNO3S — CID 107138203

IUPAC2-fluoro-4-(oxan-3-ylsulfonyl)aniline
SMILESNc1ccc(S(=O)(=O)C2CCCOC2)cc1F
InChIInChI=1S/C11H14FNO3S/c12-10-6-8(3-4-11(10)13)17(14,15)9-2-1-5-16-7-9/h3-4,6,9H,1-2,5,7,13H2
InChIKeyWMVINVXKBIDVOF-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.36
Rot. Bonds2

About 2-fluoro-4-(oxan-3-ylsulfonyl)aniline

2-fluoro-4-(oxan-3-ylsulfonyl)aniline (PubChem CID 107138203) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-fluoro-4-(oxan-3-ylsulfonyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(oxan-3-ylsulfonyl)aniline
PubChem CID107138203
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name2-fluoro-4-(oxan-3-ylsulfonyl)aniline
SMILESNc1ccc(S(=O)(=O)C2CCCOC2)cc1F
InChIInChI=1S/C11H14FNO3S/c12-10-6-8(3-4-11(10)13)17(14,15)9-2-1-5-16-7-9/h3-4,6,9H,1-2,5,7,13H2
InChIKeyWMVINVXKBIDVOF-UHFFFAOYSA-N
XLogP1.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-(oxan-3-ylsulfonyl)aniline 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 2-fluoro-4-(oxan-3-ylsulfonyl)aniline?
The IUPAC name of 2-fluoro-4-(oxan-3-ylsulfonyl)aniline (CID 107138203) is 2-fluoro-4-(oxan-3-ylsulfonyl)aniline.
What is the SMILES notation for 2-fluoro-4-(oxan-3-ylsulfonyl)aniline?
The canonical SMILES for 2-fluoro-4-(oxan-3-ylsulfonyl)aniline is Nc1ccc(S(=O)(=O)C2CCCOC2)cc1F.
What is the InChIKey of 2-fluoro-4-(oxan-3-ylsulfonyl)aniline?
The InChIKey is WMVINVXKBIDVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-10-6-8(3-4-11(10)13)17(14,15)9-2-1-5-16-7-9/h3-4,6,9H,1-2,5,7,13H2.
What are the key properties of 2-fluoro-4-(oxan-3-ylsulfonyl)aniline?
2-fluoro-4-(oxan-3-ylsulfonyl)aniline has a molecular weight of 259.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(oxan-3-ylsulfonyl)aniline is sourced from PubChem (CID 107138203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).