n-Isopropylbenzenesulfonamide
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Basic information
- CAS
5339-69-5- Standard SMILES
CC(C)NS(=O)(=O)c1ccccc1- InChIKey
QKIWHADSHFVRFN-UHFFFAOYSA-N- Molecular formula
- C9H13NO2S
- Average molar mass
- 199.27 g/mol
- Monoisotopic mass
- 199.06669983
Names & identifiers
- Preferred name
- n-Isopropylbenzenesulfonamide
- IUPAC
- N-propan-2-ylbenzenesulfonamide
- English name
- N-Isopropylbenzenesulfonamide
- Molecular formula
- C9H13NO2S
- Molecular weight
- 199.27
Names & synonyms
n-isopropylbenzenesulfonamide5339-69-5N-propan-2-ylbenzenesulfonamideMFCD00591077N-(propan-2-yl)benzenesulfonamideN-(1-methylethyl)benzenesulfonamideBenzenesulfonamide, N-(1-methylethyl)-NSC3549NSC 3549NSC 3549; N-(1-Methylethyl)benzenesulfonamide; Isopropylbenzenesulfonamide; N-Benzenesulfonyl-N-isopropylamineN-isopropylbenzenesulphonamideSCHEMBL945862
Show more names
SCHEMBL1570351SCHEMBL2223680SCHEMBL5966722SCHEMBL6554672SCHEMBL11410337DTXSID20277691NSC-3549STL388429
Database identifiers
- CAS
5339-69-5- PubChem CID
- 220600
- DTXSID
DTXSID20277691- Nikkaji
- J292.198G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
- HS Code
- 2935909099 · 2935909099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2935909099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Applications
UsesN-Isopropylbenzenesulfonamide can be used to treat hypertension.
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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