N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide

C9H10BrF3N2O2S — CID 100648205

IUPACN-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H10BrF3N2O2S/c10-6-1-2-8(7(5-6)9(11,12)13)18(16,17)15-4-3-14/h1-2,5,15H,3-4,14H2
InChIKeyXNHOLBOQJMPYRN-UHFFFAOYSA-N
MW347.16 g/mol
LogP1.70
Rot. Bonds4

About N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide

N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 100648205) has the molecular formula C9H10BrF3N2O2S and a molecular weight of 347.16 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide
PubChem CID100648205
Molecular FormulaC9H10BrF3N2O2S
Molecular Weight347.16 g/mol
Exact Mass345.96
IUPAC NameN-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H10BrF3N2O2S/c10-6-1-2-8(7(5-6)9(11,12)13)18(16,17)15-4-3-14/h1-2,5,15H,3-4,14H2
InChIKeyXNHOLBOQJMPYRN-UHFFFAOYSA-N
XLogP1.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 22719674
N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 120706697
2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425720
N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide
CID 86814125
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
N-(3-aminopropyl)-3-bromo-5-(trifluoromethyl)benzenesulfonamide
CID 119962038
3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanethioamide
CID 116527556

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide (CID 100648205) is N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide is NCCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XNHOLBOQJMPYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O2S/c10-6-1-2-8(7(5-6)9(11,12)13)18(16,17)15-4-3-14/h1-2,5,15H,3-4,14H2.
What are the key properties of N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide?
N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 347.16 g/mol, XLogP of 1.70, 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-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 100648205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).