Methoxybenzenesulfonamide Hydrochloride

Synopsis, Chemistry

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Also known as: 112101-75-4, 5[(r)-(2-aminopropyl)]-2-methoxybenzenesulfonamide hydrochloride, (r)-(+)-5-(2-aminopropyl)-2-methoxybenzene sulfonamide hydrochloride, 5-[(2r)-2-aminopropyl]-2-methoxybenzenesulfonamide;hydrochloride, (r)-(-)-5-(2-aminopropyl)-2-methoxybenzenesulphonamide hcl, 5-[(2r)-2-aminopropyl]-2-methoxy-benzenesulfonamide hydrochloride

Molecular Formula

C₁₀H₁₇ClN₂O₃S

Molecular Weight

280.77 g/mol

InChI Key

KYRRNJIOCLALJQ-OGFXRTJISA-N

1 2D Structure

Methoxybenzenesulfonamide Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide;hydrochloride

2.1.2 InChI

InChI=1S/C10H16N2O3S.ClH/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14;/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14);1H/t7-;/m1./s1

2.1.3 InChI Key

KYRRNJIOCLALJQ-OGFXRTJISA-N

2.1.4 Canonical SMILES

CC(CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N.Cl

2.1.5 Isomeric SMILES

C[C@H](CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 112101-75-4

2. 5[(r)-(2-aminopropyl)]-2-methoxybenzenesulfonamide Hydrochloride

3. (r)-(+)-5-(2-aminopropyl)-2-methoxybenzene Sulfonamide Hydrochloride

4. 5-[(2r)-2-aminopropyl]-2-methoxybenzenesulfonamide;hydrochloride

5. (r)-(-)-5-(2-aminopropyl)-2-methoxybenzenesulphonamide Hcl

6. 5-[(2r)-2-aminopropyl]-2-methoxy-benzenesulfonamide Hydrochloride

7. Schembl3939257

8. (r)-(+)-5-(2-aminopropyl)-2-methoxybenzene Sulfonamide

9. Dtxsid40524856

10. (r)-(+)-5-(2-aminopropyl)-2-methoxybenzenesulfonamidehydrochloride

11. 5-[(r)-(2-aminopropyl)]-2-methoxybenzenesulfonamide Hydrochloride

12. Akos015901415

13. Ac-5618

14. Cs-0440941

15. A1-00091

16. J-002705

17. J-002706

18. (r)-5-(2-aminopropyl)-2-methoxybenzenesulfonamidehydrochloride

19. Benzenesulfonamide,5-[(2r)-2-aminopropyl]-2-methoxy-, Hydrochloride (1:1)

20. Benzenesulfonamide,5-[(2r)-2-aminopropyl]-2-methoxy-,hydrochloride(1:1)

21. 5-[(2r)-2-aminopropyl]-2-methoxybenzene-1-sulfonamide--hydrogen Chloride (1/1)

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇ClN₂O₃S
Molecular Weight	280.77 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	280.0648413 g/mol
Monoisotopic Mass	280.0648413 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	313
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2