3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide

C10H12BrFN2O3S — CID 47305418

IUPAC3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O3S/c1-13-10(15)4-5-14-18(16,17)9-3-2-7(12)6-8(9)11/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyJIUYVMXAGNMKRN-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.00
Rot. Bonds5

About 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide

3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 47305418) has the molecular formula C10H12BrFN2O3S and a molecular weight of 339.19 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID47305418
Molecular FormulaC10H12BrFN2O3S
Molecular Weight339.19 g/mol
Exact Mass337.97
IUPAC Name3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O3S/c1-13-10(15)4-5-14-18(16,17)9-3-2-7(12)6-8(9)11/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyJIUYVMXAGNMKRN-UHFFFAOYSA-N
XLogP1.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-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

2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
methyl 4-[(2-bromo-4-fluorophenyl)sulfonylamino]butanoate
CID 61060420
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47062283
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
CID 63254005
2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457271
2-bromo-4-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 113258225
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 66170192
2-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54922007
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide (CID 47305418) is 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is JIUYVMXAGNMKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O3S/c1-13-10(15)4-5-14-18(16,17)9-3-2-7(12)6-8(9)11/h2-3,6,14H,4-5H2,1H3,(H,13,15).
What are the key properties of 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 339.19 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 47305418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).