4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide

C14H13BrFNO2S — CID 53364689

IUPAC4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H13BrFNO2S/c15-12-6-7-14(13(16)10-12)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyWFHMCBVWLCJINE-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.11
Rot. Bonds5

About 4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide

4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 53364689) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
PubChem CID53364689
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H13BrFNO2S/c15-12-6-7-14(13(16)10-12)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyWFHMCBVWLCJINE-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-fluoro-N-(2-phenylethyl)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

N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 116528063
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 116528850
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
CID 116530088
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanethioamide
CID 116527556

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide (CID 53364689) is 4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is WFHMCBVWLCJINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c15-12-6-7-14(13(16)10-12)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2.
What are the key properties of 4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 53364689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).