CAS 1694-06-0

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Also known as: 1694-06-0, N-carbamoyl-4-methylbenzenesulfonamide, 4-toluenesulfonylurea, 4-tolylsulfonylurea, P-toluenesulfonylurea, (4-methylphenyl)sulfonylurea

Molecular Formula

C₈H₁₀N₂O₃S

Molecular Weight

214.24 g/mol

InChI Key

RUTYWCZSEBLPAK-UHFFFAOYSA-N

FDA UNII

Q9W3K7K5XB

1 2D Structure

CAS 1694-06-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-methylphenyl)sulfonylurea

2.1.2 InChI

InChI=1S/C8H10N2O3S/c1-6-2-4-7(5-3-6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

2.1.3 InChI Key

RUTYWCZSEBLPAK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

Q9W3K7K5XB

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-tolylsulfonylurea

2. P-tolylsulfonylurea

2.3.2 Depositor-Supplied Synonyms

1. 1694-06-0

2. N-carbamoyl-4-methylbenzenesulfonamide

3. 4-toluenesulfonylurea

4. 4-tolylsulfonylurea

5. P-toluenesulfonylurea

6. (4-methylphenyl)sulfonylurea

7. Q9w3k7k5xb

8. Benzenesulfonamide, N-(aminocarbonyl)-4-methyl-

9. Mfcd00196522

10. P-tolylsulfonylurea

11. N-(aminocarbonyl)-4-methylbenzenesulphonamide

12. Einecs 216-900-3

13. P-toluenesulphonylurea

14. N-(p-tolylsulfonyl)urea

15. Toluenesulfonylurea

16. P-toluolsulfonyl-harnstoff

17. N-(p-toluenesulfonyl)urea

18. Ec-000.1456

19. Unii-q9w3k7k5xb

20. Oprea1_528210

21. (4-methylbenzenesulfonyl)urea

22. Schembl170426

23. Dtxsid90168704

24. 4-toluenesulfonylurea, Aldrichcpr

25. Zinc1081457

26. Akos003624899

27. Cs-w014932

28. Ds-1957

29. Fs-3527

30. Pb29041

31. Toluenesulfonylurea [ep Impurity]

32. 1-((4-methylphenyl)sulfonyl)urea

33. Sy052679

34. Db-043788

35. Am20030131

36. Ft-0633778

37. T2890

38. Tolbutamide Impurity B [ep Impurity]

39. 694t060

40. A811098

41. J-010537

42. J-523530

43. [(aminocarbonyl)amino](4-methylphenyl)dioxo-lambda~6~-sulfane

44. 4,7,7-trimethylnorbornan-2-ol;n-carbamoyl-4-methylbenzenesulfonamide

2.4 Create Date

2005-07-10

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀N₂O₃S
Molecular Weight	214.24 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	214.04121336 g/mol
Monoisotopic Mass	214.04121336 g/mol
Topological Polar Surface Area	97.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	299
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