4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide

C10H14BrFN2O2S — CID 86796943

IUPAC4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H14BrFN2O2S/c1-14(2)6-5-13-17(15,16)10-4-3-8(11)7-9(10)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyNSCJJTPUYDUOIR-UHFFFAOYSA-N
MW325.20 g/mol
LogP1.43
Rot. Bonds5

About 4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide

4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide (PubChem CID 86796943) has the molecular formula C10H14BrFN2O2S and a molecular weight of 325.20 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
PubChem CID86796943
Molecular FormulaC10H14BrFN2O2S
Molecular Weight325.20 g/mol
Exact Mass323.99
IUPAC Name4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H14BrFN2O2S/c1-14(2)6-5-13-17(15,16)10-4-3-8(11)7-9(10)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyNSCJJTPUYDUOIR-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 116528850
2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
CID 116530088
4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 53364689
3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanethioamide
CID 116527556
4-bromo-2-fluoro-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 104922244

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide (CID 86796943) is 4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide?
The InChIKey is NSCJJTPUYDUOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S/c1-14(2)6-5-13-17(15,16)10-4-3-8(11)7-9(10)12/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide?
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide has a molecular weight of 325.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 86796943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).