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50487-70-2

50487-70-2 | N-AllylbenzenesulfonaMide

CAS No: 50487-70-2 Catalog No: AG00DK7K MDL No:MFCD00665980

Product Description

Catalog Number:
AG00DK7K
Chemical Name:
N-AllylbenzenesulfonaMide
CAS Number:
50487-70-2
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD00665980
IUPAC Name:
N-prop-2-enylbenzenesulfonamide
InChI:
InChI=1S/C9H11NO2S/c1-2-8-10-13(11,12)9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChI Key:
AUSDMZUIKMAAEN-UHFFFAOYSA-N
SMILES:
C=CCNS(=O)(=O)c1ccccc1
NSC Number:
85509

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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