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Home Other Building Blocks Sulfamide, N-(4-cyanophenyl)-

Sulfamide, N-(4-cyanophenyl)-

CAS No.:
164648-70-8
Catalog Number:
AG001V0L
Molecular Formula:
C7H7N3O2S
Molecular Weight:
197.2144
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Product Description
Catalog Number:
AG001V0L
Chemical Name:
Sulfamide, N-(4-cyanophenyl)-
CAS Number:
164648-70-8
Molecular Formula:
C7H7N3O2S
Molecular Weight:
197.2144
MDL Number:
MFCD09936394
IUPAC Name:
1-cyano-4-(sulfamoylamino)benzene
InChI:
InChI=1S/C7H7N3O2S/c8-5-6-1-3-7(4-2-6)10-13(9,11)12/h1-4,10H,(H2,9,11,12)
InChI Key:
XFOYAXPHCAOZCA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NS(=O)(=O)N
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.026g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.212g/mol
Monoisotopic Mass:
197.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, IX, and XII with N-hydroxysulfamides--a new zinc-binding function in the design of inhibitors. Bioorganic & medicinal chemistry letters 20050502
Carbonic anhydrase inhibitors: inhibition of cytosolic isozymes I and II with sulfamide derivatives. Bioorganic & medicinal chemistry letters 20030310
Properties