5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide

C11H14F2N2O3S — CID 82725317

IUPAC5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H14F2N2O3S/c1-6-10(2-3-18-6)15-19(16,17)11-5-9(14)7(12)4-8(11)13/h4-6,10,15H,2-3,14H2,1H3
InChIKeyVZYPZNXXEYJFNK-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.00
Rot. Bonds3

About 5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide

5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82725317) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82725317
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H14F2N2O3S/c1-6-10(2-3-18-6)15-19(16,17)11-5-9(14)7(12)4-8(11)13/h4-6,10,15H,2-3,14H2,1H3
InChIKeyVZYPZNXXEYJFNK-UHFFFAOYSA-N
XLogP1.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830
3-amino-2-bromo-5-chloro-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725620
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
CID 83034972
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725622
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
5-amino-4-bromo-2-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 116530440
2-[(2-methyloxolan-3-yl)sulfamoyl]benzenecarbothioamide
CID 82728362
5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 82725833
4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
CID 82726035
4-amino-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729066

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82725317) is 5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide is CC1OCCC1NS(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is VZYPZNXXEYJFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-6-10(2-3-18-6)15-19(16,17)11-5-9(14)7(12)4-8(11)13/h4-6,10,15H,2-3,14H2,1H3.
What are the key properties of 5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide?
5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 292.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82725317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).