5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide

C13H18F2N2O3S — CID 83034972

IUPAC5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2cc(N)c(F)cc2F)CCO1
InChIInChI=1S/C13H18F2N2O3S/c1-13(2)7-8(3-4-20-13)17-21(18,19)12-6-11(16)9(14)5-10(12)15/h5-6,8,17H,3-4,7,16H2,1-2H3
InChIKeyDVYAALWWQNDXKM-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.78
Rot. Bonds3

About 5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide

5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 83034972) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
PubChem CID83034972
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2cc(N)c(F)cc2F)CCO1
InChIInChI=1S/C13H18F2N2O3S/c1-13(2)7-8(3-4-20-13)17-21(18,19)12-6-11(16)9(14)5-10(12)15/h5-6,8,17H,3-4,7,16H2,1-2H3
InChIKeyDVYAALWWQNDXKM-UHFFFAOYSA-N
XLogP1.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide with MolForge

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Related Compounds

2-amino-5-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 106491998
5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide
CID 83034968
2-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 115563559
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830
5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725317
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115563568
5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 114542992
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
CID 106997091
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide
CID 83040379
N-(2,2-dimethyloxan-4-yl)-3-fluoropyridine-2-sulfonamide
CID 103300360

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide (CID 83034972) is 5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide is CC1(C)CC(NS(=O)(=O)c2cc(N)c(F)cc2F)CCO1.
What is the InChIKey of 5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is DVYAALWWQNDXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-13(2)7-8(3-4-20-13)17-21(18,19)12-6-11(16)9(14)5-10(12)15/h5-6,8,17H,3-4,7,16H2,1-2H3.
What are the key properties of 5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide?
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 320.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 83034972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).