Cas no 1351395-66-8 (N-(1S)-2-Hydroxy-1-methylethyl-2-nitrobenzenesulfonamide)

N-(1S)-2-Hydroxy-1-methylethyl-2-nitrobenzenesulfonamide is a chiral sulfonamide derivative characterized by its unique structural features, including a nitro-substituted benzene ring and a hydroxyl-bearing chiral center. This compound is particularly notable for its potential as an intermediate in asymmetric synthesis, owing to the presence of the (1S)-2-hydroxy-1-methylethyl group, which can influence stereoselective reactions. The nitro group enhances reactivity in nucleophilic substitution or reduction processes, making it valuable for constructing complex molecular frameworks. Its sulfonamide moiety offers stability while allowing further functionalization, suitable for pharmaceutical or agrochemical applications. The chiral nature of this compound also makes it relevant for enantioselective catalysis or as a building block in bioactive molecule synthesis.

N-(1S)-2-Hydroxy-1-methylethyl-2-nitrobenzenesulfonamide structure

1351395-66-8 structure

Product Name:N-(1S)-2-Hydroxy-1-methylethyl-2-nitrobenzenesulfonamide

CAS No:1351395-66-8

MF:C₉H₁₂N₂O₅S

MW:260.266981124878

MDL:MFCD21064871

CID:1061977

PubChem ID:65808792

Update Time:2025-07-02

N-(1S)-2-Hydroxy-1-methylethyl-2-nitrobenzenesulfonamide Chemical and Physical Properties

Names and Identifiers

- N-[(1S)-2-Hydroxy-1-methylethyl]-2-nitrobenzenesulfonamide
- N-[(2S)-1-Hydroxy-2-propanyl]-2-nitrobenzenesulfonamide
- N-[(2S)-1-hydroxypropan-2-yl]-2-nitrobenzenesulfonamide
- (S)-N-(1-HYDROXYPROPAN-2-YL)-2-NITROBENZENESULFONAMIDE
- FDFFWQKRBIFMNE-ZETCQYMHSA-N
- N-[(2S)-1-Hydroxypropan-2-yl]-2-nitrobenzene-1-sulfonamide
- SCHEMBL14990813
- DB-328158
- AKOS015149233
- DS-9073
- BEC39566
- A910249
- DTXSID80734932
- CS-0059830
- 1351395-66-8
- MFCD21064871
- N-(1S)-2-Hydroxy-1-methylethyl-2-nitrobenzenesulfonamide
- MDL： MFCD21064871
- Inchi： 1S/C9H12N2O5S/c1-7(6-12)10-17(15,16)9-5-3-2-4-8(9)11(13)14/h2-5,7,10,12H,6H2,1H3/t7-/m0/s1
- InChI Key： FDFFWQKRBIFMNE-ZETCQYMHSA-N
- SMILES： S(C1C=CC=CC=1[N+](=O)[O-])(N[C@@H](C)CO)(=O)=O

Computed Properties

Exact Mass: 260.04676
Monoisotopic Mass: 260.04669266g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 6
Heavy Atom Count: 17
Rotatable Bond Count: 4
Complexity: 359
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.5
Topological Polar Surface Area: 121

Experimental Properties

PSA: 109.54

N-(1S)-2-Hydroxy-1-methylethyl-2-nitrobenzenesulfonamide Security Information

Signal Word：Warning
Hazard Statement： H302
Warning Statement： P280-P305+P351+P338
Storage Condition：Sealed in dry,Store in freezer, under -20°C

N-(1S)-2-Hydroxy-1-methylethyl-2-nitrobenzenesulfonamide Pricemore >>

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