CAS 42137-88-2

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10 Related Intermediates

Chemistry

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Also known as: 42137-88-2, N,n-bis(2-chloroethyl)-4-methylbenzenesulfonamide, N,n-bis(2-chloroethyl)-p-toluenesulphonamide, Mfcd00018944, N,n-bis(.beta.-chloroethyl)-p-toluenesulfonamide, Benzenesulfonamide, n,n-bis(2-chloroethyl)-4-methyl-

Molecular Formula

C₁₁H₁₅Cl₂NO₂S

Molecular Weight

296.2 g/mol

InChI Key

PTVBBIMKLOMGSY-UHFFFAOYSA-N

1 2D Structure

CAS 42137-88-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide

2.1.2 InChI

InChI=1S/C11H15Cl2NO2S/c1-10-2-4-11(5-3-10)17(15,16)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3

2.1.3 InChI Key

PTVBBIMKLOMGSY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 42137-88-2

2. N,n-bis(2-chloroethyl)-4-methylbenzenesulfonamide

3. N,n-bis(2-chloroethyl)-p-toluenesulphonamide

4. Mfcd00018944

5. N,n-bis(.beta.-chloroethyl)-p-toluenesulfonamide

6. Benzenesulfonamide, N,n-bis(2-chloroethyl)-4-methyl-

7. N,n-bis(2-chloroethyl)-p-toluenesulfonamide, Technical Grade 90per Cent

8. Nsc49364

9. Einecs 255-677-7

10. Schembl398044

11. Dtxsid20194970

12. Zinc156537

13. Act03803

14. Amy24784

15. Nsc 49364

16. Nsc-49364

17. Akos003348366

18. Ds-4657

19. Sb82577

20. Angc-42137-88-2

21. Db-050855

22. B4059

23. Cs-0153042

24. Ft-0629408

25. N,n-bis(2-chloroethyl)-4-toluenesulfonamide

26. N,n-bis-(2-chloroethyl)-para-toluene Sulfonamide

27. N,n-bis(2'-chloroethyl)-4-methylbenzenesulfonamide

28. N,n-bis(2-chloroethyl)-4-methylbenzene Sulfonamide

29. N,n-bis(2-chloroethyl)-4-methylbenzene Sulphonamide

30. N,n-bis-(2-chloro-ethyl)-4-methyl-benzenesulfonamide

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅Cl₂NO₂S
Molecular Weight	296.2 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	295.0200553 g/mol
Monoisotopic Mass	295.0200553 g/mol
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	17
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