1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-bromo-N-tert-butylbenzenesulfonamide

2.1.2 InChI

InChI=1S/C10H14BrNO2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,1-3H3

2.1.3 InChI Key

PKTQHWKZGFKXGT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 308283-47-8

2. 3-bromo-n-tert-butylbenzenesulfonamide

3. 3-bromo-n-(tert-butyl)benzenesulfonamide

4. N-tert-butyl 3-bromobenzenesulfonamide

5. N-tert-butyl-3-bromobenzenesulfonamide

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

7. Mfcd07363824

8. 3-bromo-n-tert-butylbenzene-1-sulfonamide

9. 3-bromo-n-tert-butyl-benzenesulfonamide

10. Schembl265040

11. Dtxsid60406589

12. Zinc4369252

13. Ac5858

14. 3-bromo-n-(t-butyl)benzenesulfonamide

15. Akos006034994

16. Ab30844

17. 3-bromo-n-tert-butyl-benzene Sulfonamide

18. As-68369

19. Sy040037

20. Cs-0100359

21. Ft-0651325

22. 283b478

23. 3-bromo-n-tert-butyl Benzene Sulphonamide

2.3 Create Date

2005-09-17

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄BrNO₂S
Molecular Weight	292.19 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	290.99286 g/mol
Monoisotopic Mass	290.99286 g/mol
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	302
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

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CAS 308283-47-8

CAS 308283-47-8

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