4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C13H12BrFN2O2S — CID 116528063

IUPAC4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1ccc(Br)cc1F
InChIInChI=1S/C13H12BrFN2O2S/c14-10-4-5-13(12(15)9-10)20(18,19)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2
InChIKeyNBPXFYQBPWYMBL-UHFFFAOYSA-N
MW359.22 g/mol
LogP2.50
Rot. Bonds5

About 4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 116528063) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID116528063
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC Name4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccn1)c1ccc(Br)cc1F
InChIInChI=1S/C13H12BrFN2O2S/c14-10-4-5-13(12(15)9-10)20(18,19)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2
InChIKeyNBPXFYQBPWYMBL-UHFFFAOYSA-N
XLogP2.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 53364689
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 25048330
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
2-hydroxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 81241460
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
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
2,5-dichloro-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 4657628

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 116528063) is 4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccn1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is NBPXFYQBPWYMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c14-10-4-5-13(12(15)9-10)20(18,19)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8H2.
What are the key properties of 4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 359.22 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 116528063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).