CAS 63132-85-4

1 2D Structure

CAS 63132-85-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-tert-butyl-3-chloropropane-1-sulfonamide

2.1.2 InChI

InChI=1S/C7H16ClNO2S/c1-7(2,3)9-12(10,11)6-4-5-8/h9H,4-6H2,1-3H3

2.1.3 InChI Key

SPGDRXRIVPMUCK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)NS(=O)(=O)CCCCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 63132-85-4

2. 3-chloropropane-1-sulfonic Acid Tert-butylamide

3. 3-chloro-propane-1-sulfonic Acid Tert-butylamide

4. N-(tert-butyl)-3-chloropropane-1-sulfonamide

5. 3-chloropropane-1-sulfonicacidtert-butylamide

6. Schembl635978

7. Dtxsid10470811

8. 3-chloro-n-(1,1-dimethylethyl)-1-propanesulfonamide

9. Bcp20114

10. Mfcd11707045

11. Zinc36881341

12. Akos009845360

13. Sb79397

14. Ac-30860

15. Am804162

16. As-69404

17. N-tert-butyl-(3-chloro)propylsulfonamide

18. N-tert-butyl-(3-chloro) Propylsulfonamide

19. Db-009243

20. Cs-0171698

21. Ft-0630011

22. 132b854

23. A834228

24. 1-propanesulfonamide, 3-chloro-n-(1,1-dimethylethyl)-

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₆ClNO₂S
Molecular Weight	213.73 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	213.0590276 g/mol
Monoisotopic Mass	213.0590276 g/mol
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	213
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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