CAS 608523-94-0

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Also known as: 608523-94-0, N-tert-butyl 3-aminophenylsulfonamide, 3-amino-n-tert-butylbenzenesulfonamide, N-t-butyl 3-aminobenzenesulfonamide, 3-amino-n-tert-butyl-benzenesulfonamide, Benzenesulfonamide, 3-amino-n-(1,1-dimethylethyl)-

Molecular Formula

C₁₀H₁₆N₂O₂S

Molecular Weight

228.31 g/mol

InChI Key

KLQVFEHOLLUULE-UHFFFAOYSA-N

1 2D Structure

CAS 608523-94-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-amino-N-tert-butylbenzenesulfonamide

2.1.2 InChI

InChI=1S/C10H16N2O2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,11H2,1-3H3

2.1.3 InChI Key

KLQVFEHOLLUULE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 608523-94-0

2. N-tert-butyl 3-aminophenylsulfonamide

3. 3-amino-n-tert-butylbenzenesulfonamide

4. N-t-butyl 3-aminobenzenesulfonamide

5. 3-amino-n-tert-butyl-benzenesulfonamide

6. Benzenesulfonamide, 3-amino-n-(1,1-dimethylethyl)-

7. Mfcd06660528

8. 3-amino-n-t-butylbenzenesulfonamide

9. N-tert-butyl3-aminophenylsulfonamide

10. Schembl2018411

11. Amy7185

12. Dtxsid30390320

13. Zinc3888677

14. Akos000117812

15. Amino-n-(tert-butyl)benzenesulfonamide

16. Ab26745

17. As-31149

18. Sy002394

19. Db-002087

20. Cs-0059260

21. Ft-0677769

22. En300-11771

23. 3-amino-n-(1,1-dimethylethyl)benzenesulfonamide

24. 3-amino-n-tert-butylbenzene-1-sulfonamide

25. 523a940

26. A868871

2.3 Create Date

2005-08-10

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆N₂O₂S
Molecular Weight	228.31 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	228.09324893 g/mol
Monoisotopic Mass	228.09324893 g/mol
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	300
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