4-2-Aminoethyl-Benzenesulfonylfluoride

Synopsis, Chemistry

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Also known as: 34284-75-8, Aebsf, 4-(2-aminoethyl)benzenesulfonylfluoride, 4-(2-aminoethyl)benzene-1-sulfonyl fluoride, Benzenesulfonyl fluoride, 4-(2-aminoethyl)-, F5d36l5354

Molecular Formula

C₈H₁₀FNO₂S

Molecular Weight

203.24 g/mol

InChI Key

MGSKVZWGBWPBTF-UHFFFAOYSA-N

FDA UNII

F5D36L5354

1 2D Structure

4-2-Aminoethyl-Benzenesulfonylfluoride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2-aminoethyl)benzenesulfonyl fluoride

2.1.2 InChI

InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2

2.1.3 InChI Key

MGSKVZWGBWPBTF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CCN)S(=O)(=O)F

2.2 Other Identifiers

2.2.1 UNII

F5D36L5354

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-(2-aminoethyl) Benzenesulfonyl Fluoride Hydrochloride

2. 4-(2-aminoethyl)benzenesulfonylfluoride

3. 4-2(aminoethyl)-benzensulfonyl Fluoride

4. 4-beta-aminoethylbenzolsulfofluoride

5. Aebsf

6. Aebsf Cpd

7. Pefabloc

2.3.2 Depositor-Supplied Synonyms

1. 34284-75-8

2. Aebsf

3. 4-(2-aminoethyl)benzenesulfonylfluoride

4. 4-(2-aminoethyl)benzene-1-sulfonyl Fluoride

5. Benzenesulfonyl Fluoride, 4-(2-aminoethyl)-

6. F5d36l5354

7. Aebsf.hcl

8. 4-beta-aminoethylbenzolsulfofluoride

9. Chembl1256178

10. Sr-01000075690

11. Absf

12. Lopac-a-8456

13. Lopac0_000132

14. Schembl77781

15. Chembl1096339

16. Unii-f5d36l5354

17. Dtxsid40187844

18. Zinc8034834

19. Bdbm50398077

20. 4-(2-aminoethyl)phenylsulfonylfluoride

21. Ccg-204227

22. Db07347

23. Sdccgsbi-0050120.p002

24. Ncgc00015097-01

25. Ncgc00015097-02

26. Ncgc00015097-03

27. Ncgc00015097-12

28. Ncgc00162071-01

29. [4-(2-aminoethyl)-benzenesulphonyl Fluoride]

30. Q290992

31. Benzenesulfonyl Fluoride, P-(2-aminoethyl)-

32. Sr-01000075690-6

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀FNO₂S
Molecular Weight	203.24 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	203.04162790 g/mol
Monoisotopic Mass	203.04162790 g/mol
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	239
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Serine Proteinase Inhibitors

Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES. (See all compounds classified as Serine Proteinase Inhibitors.)

Trypsin Inhibitors

Serine proteinase inhibitors which inhibit trypsin. They may be endogenous or exogenous compounds. (See all compounds classified as Trypsin Inhibitors.)