2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide

C12H17BrFN3O3S — CID 106492195

IUPAC2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C12H17BrFN3O3S/c1-4-17(3)12(18)7(2)16-21(19,20)11-5-8(13)9(14)6-10(11)15/h5-7,16H,4,15H2,1-3H3
InChIKeyVZRCDSBTZDLXBG-UHFFFAOYSA-N
MW382.26 g/mol
LogP1.32
Rot. Bonds5

About 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide

2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide (PubChem CID 106492195) has the molecular formula C12H17BrFN3O3S and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
PubChem CID106492195
Molecular FormulaC12H17BrFN3O3S
Molecular Weight382.26 g/mol
Exact Mass381.02
IUPAC Name2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C12H17BrFN3O3S/c1-4-17(3)12(18)7(2)16-21(19,20)11-5-8(13)9(14)6-10(11)15/h5-7,16H,4,15H2,1-3H3
InChIKeyVZRCDSBTZDLXBG-UHFFFAOYSA-N
XLogP1.32
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide 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

methyl 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491644
2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 106491799
2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide
CID 103106654
2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 106491580
2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106491907
2-[(2-amino-6-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106533
2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 106491866
2-amino-5-bromo-4-fluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106492061
2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106491310
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 106491434
2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 106491371
2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide
CID 174207117

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide (CID 106492195) is 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NS(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is VZRCDSBTZDLXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN3O3S/c1-4-17(3)12(18)7(2)16-21(19,20)11-5-8(13)9(14)6-10(11)15/h5-7,16H,4,15H2,1-3H3.
What are the key properties of 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide?
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 382.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 106492195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).