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

C12H16F2N2O3S — CID 60985962

IUPAC4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H16F2N2O3S/c1-16(9-2-4-19-5-3-9)20(17,18)12-10(13)6-8(15)7-11(12)14/h6-7,9H,2-5,15H2,1H3
InChIKeyQJSYXYLOCGCFJD-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.35
Rot. Bonds3

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

4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 60985962) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID60985962
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H16F2N2O3S/c1-16(9-2-4-19-5-3-9)20(17,18)12-10(13)6-8(15)7-11(12)14/h6-7,9H,2-5,15H2,1H3
InChIKeyQJSYXYLOCGCFJD-UHFFFAOYSA-N
XLogP1.35
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide (CID 60985962) is 4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide is CN(C1CCOCC1)S(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is QJSYXYLOCGCFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-16(9-2-4-19-5-3-9)20(17,18)12-10(13)6-8(15)7-11(12)14/h6-7,9H,2-5,15H2,1H3.
What are the key properties of 4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 306.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 60985962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).