2-bromo-4-fluoro-N-pentylbenzenesulfonamide

C11H15BrFNO2S — CID 47257446

IUPAC2-bromo-4-fluoro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO2S/c1-2-3-4-7-14-17(15,16)11-6-5-9(13)8-10(11)12/h5-6,8,14H,2-4,7H2,1H3
InChIKeyJAKPUYJXQLVZND-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.06
Rot. Bonds6

About 2-bromo-4-fluoro-N-pentylbenzenesulfonamide

2-bromo-4-fluoro-N-pentylbenzenesulfonamide (PubChem CID 47257446) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-pentylbenzenesulfonamide
PubChem CID47257446
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name2-bromo-4-fluoro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO2S/c1-2-3-4-7-14-17(15,16)11-6-5-9(13)8-10(11)12/h5-6,8,14H,2-4,7H2,1H3
InChIKeyJAKPUYJXQLVZND-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-4-fluoro-N-pentylbenzenesulfonamide 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
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
2-bromo-4-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058201
N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
CID 63254005
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
2-cyano-5-fluoro-N-pentylbenzenesulfonamide
CID 163812212
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47305418
2-bromo-4-fluoro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 60824052
2-bromo-4-fluoro-N-(4-imidazol-1-ylbutyl)benzenesulfonamide
CID 61069449
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027
2-bromo-N-butyl-4-(trifluoromethoxy)benzenesulfonamide
CID 26985676

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-pentylbenzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-pentylbenzenesulfonamide (CID 47257446) is 2-bromo-4-fluoro-N-pentylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-pentylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-pentylbenzenesulfonamide?
The InChIKey is JAKPUYJXQLVZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-2-3-4-7-14-17(15,16)11-6-5-9(13)8-10(11)12/h5-6,8,14H,2-4,7H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-pentylbenzenesulfonamide?
2-bromo-4-fluoro-N-pentylbenzenesulfonamide has a molecular weight of 324.22 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-pentylbenzenesulfonamide is sourced from PubChem (CID 47257446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).