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Technical details about Fluoromethane Sulfoanilide Hydrochloride, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: (-)-garomefrin, Ns-49, 137431-02-8, Garomefrin, (-)-, D62l7ov01x, N-[3-[(1r)-2-amino-1-hydroxyethyl]-4-fluorophenyl]methanesulfonamide
Molecular Formula
C9H13FN2O3S
Molecular Weight
248.28  g/mol
InChI Key
XYLJNMCMDOOJRW-VIFPVBQESA-N
FDA UNII
D62L7OV01X

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[3-[(1R)-2-amino-1-hydroxyethyl]-4-fluorophenyl]methanesulfonamide
2.1.2 InChI
InChI=1S/C9H13FN2O3S/c1-16(14,15)12-6-2-3-8(10)7(4-6)9(13)5-11/h2-4,9,12-13H,5,11H2,1H3/t9-/m0/s1
2.1.3 InChI Key
XYLJNMCMDOOJRW-VIFPVBQESA-N
2.1.4 Canonical SMILES
CS(=O)(=O)NC1=CC(=C(C=C1)F)C(CN)O
2.1.5 Isomeric SMILES
CS(=O)(=O)NC1=CC(=C(C=C1)F)[C@H](CN)O
2.2 Other Identifiers
2.2.1 UNII
D62L7OV01X
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (r)-(-)-3'-(2-amino-1-hydroxyethyl)-4'-fluoromethane Sulfoanilide Hydrochloride

2. 3'-(2-amino-1-hydroxyethyl)-4'-fluoromethanesulfonanilide

3. Ns 49

4. Ns-49

5. Pno 49b

6. Pno-49b

7. Pno-49c

2.3.2 Depositor-Supplied Synonyms

1. (-)-garomefrin

2. Ns-49

3. 137431-02-8

4. Garomefrin, (-)-

5. D62l7ov01x

6. N-[3-[(1r)-2-amino-1-hydroxyethyl]-4-fluorophenyl]methanesulfonamide

7. Methanesulfonamide, N-(3-((1r)-2-amino-1-hydroxyethyl)-4-fluorophenyl)-

8. N-{3-[(1r)-2-amino-1-hydroxyethyl]-4-fluorophenyl}methanesulfonamide

9. Ns-49 (free Base)

10. Unii-d62l7ov01x

11. Gtpl481

12. Chembl72958

13. Schembl1982641

14. Chebi:167667

15. Bdbm50000215

16. Q27088067

17. (r)-(-)-3'-(2-amino-1-hydroxyethyl)-4'-fluoromethanesulfonanilide

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 248.28 g/mol
Molecular Formula C9H13FN2O3S
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass248.06309162 g/mol
Monoisotopic Mass248.06309162 g/mol
Topological Polar Surface Area101 Ų
Heavy Atom Count16
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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