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2D Structure
Also known as: 63132-85-4, 3-chloropropane-1-sulfonic acid tert-butylamide, 3-chloro-propane-1-sulfonic acid tert-butylamide, N-(tert-butyl)-3-chloropropane-1-sulfonamide, 3-chloropropane-1-sulfonicacidtert-butylamide, Schembl635978
Molecular Formula
C7H16ClNO2S
Molecular Weight
213.73  g/mol
InChI Key
SPGDRXRIVPMUCK-UHFFFAOYSA-N

1 2D Structure

2D Structure

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 Weight 213.73 g/mol
Molecular Formula C7H16ClNO2S
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass213.0590276 g/mol
Monoisotopic Mass213.0590276 g/mol
Topological Polar Surface Area54.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1