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116266-39-8 | Sulfamide, N'-[4-(2-cyanoacetyl)phenyl]-N,N-dimethyl-
CAS No: 116266-39-8 Catalog No: AG000C2X MDL No:
Product Description
Catalog Number:
AG000C2X
Chemical Name:
Sulfamide, N'-[4-(2-cyanoacetyl)phenyl]-N,N-dimethyl-
CAS Number:
116266-39-8
Molecular Formula:
C11H13N3O3S
Molecular Weight:
267.3042
IUPAC Name:
1-(2-cyanoacetyl)-4-(dimethylsulfamoylamino)benzene
InChI:
InChI=1S/C11H13N3O3S/c1-14(2)18(16,17)13-10-5-3-9(4-6-10)11(15)7-8-12/h3-6,13H,7H2,1-2H3
InChI Key:
HTONDHSBFOZIHA-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1)NS(=O)(=O)N(C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.303g/mol
Monoisotopic Mass:
267.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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