3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide

C11H16F2N2O3S — CID 107343827

IUPAC3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C11H16F2N2O3S/c1-11(2,6-18-3)15-19(16,17)8-5-4-7(12)10(14)9(8)13/h4-5,15H,6,14H2,1-3H3
InChIKeyJFXDBHVEJOXOJJ-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.25
Rot. Bonds5

About 3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide

3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 107343827) has the molecular formula C11H16F2N2O3S and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID107343827
Molecular FormulaC11H16F2N2O3S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC Name3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C11H16F2N2O3S/c1-11(2,6-18-3)15-19(16,17)8-5-4-7(12)10(14)9(8)13/h4-5,15H,6,14H2,1-3H3
InChIKeyJFXDBHVEJOXOJJ-UHFFFAOYSA-N
XLogP1.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-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

3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 107343168
2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106080571
4-(ethylaminomethyl)-2-fluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106080734
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
3-amino-N-(2-bromoprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343821
3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343820
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343158
methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate
CID 103833585

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide (CID 107343827) is 3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide is COCC(C)(C)NS(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is JFXDBHVEJOXOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3S/c1-11(2,6-18-3)15-19(16,17)8-5-4-7(12)10(14)9(8)13/h4-5,15H,6,14H2,1-3H3.
What are the key properties of 3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 107343827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).