N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride

C8H11BrClFN2O2S — CID 120706203

IUPACN-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H10BrFN2O2S.ClH/c9-6-1-2-8(7(10)5-6)15(13,14)12-4-3-11;/h1-2,5,12H,3-4,11H2;1H
InChIKeyAWBWKKSZAGIIRA-UHFFFAOYSA-N
MW333.61 g/mol
LogP1.25
Rot. Bonds4

About N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120706203) has the molecular formula C8H11BrClFN2O2S and a molecular weight of 333.61 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
PubChem CID120706203
Molecular FormulaC8H11BrClFN2O2S
Molecular Weight333.61 g/mol
Exact Mass331.94
IUPAC NameN-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H10BrFN2O2S.ClH/c9-6-1-2-8(7(10)5-6)15(13,14)12-4-3-11;/h1-2,5,12H,3-4,11H2;1H
InChIKeyAWBWKKSZAGIIRA-UHFFFAOYSA-N
XLogP1.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanethioamide
CID 116527556
2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
CID 116530088
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86814122
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide
CID 100648205
4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 53364689

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride (CID 120706203) is N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride is Cl.NCCNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is AWBWKKSZAGIIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O2S.ClH/c9-6-1-2-8(7(10)5-6)15(13,14)12-4-3-11;/h1-2,5,12H,3-4,11H2;1H.
What are the key properties of N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 333.61 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120706203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).