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94532-99-7

94532-99-7 | 2-(Methylsulfonamido);benzaldehyde

CAS No: 94532-99-7 Catalog No: AG003F31 MDL No:MFCD11052341

Product Description

Catalog Number:
AG003F31
Chemical Name:
2-(Methylsulfonamido);benzaldehyde
CAS Number:
94532-99-7
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD11052341
IUPAC Name:
N-(2-formylphenyl)methanesulfonamide
InChI:
InChI=1S/C8H9NO3S/c1-13(11,12)9-8-5-3-2-4-7(8)6-10/h2-6,9H,1H3
InChI Key:
BHUPNWLTAGQULX-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1NS(=O)(=O)C

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Literature

Title Journal
Three thiadiazinone derivatives, EMD 60417, EMD 66430, and EMD 66398, with class III antiarrhythmic activity but different electrophysiologic profiles. Journal of cardiovascular pharmacology 20010901

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