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25006-65-9 | Acetamide, N-[4-[[2-(aminosulfonyl)-4-nitrophenyl]sulfonyl]phenyl]-
CAS No: 25006-65-9 Catalog No: AG002Q5S MDL No:
Product Description
Catalog Number:
AG002Q5S
Chemical Name:
Acetamide, N-[4-[[2-(aminosulfonyl)-4-nitrophenyl]sulfonyl]phenyl]-
CAS Number:
25006-65-9
Molecular Formula:
C14H13N3O7S2
Molecular Weight:
399.3989
IUPAC Name:
N-[4-(4-nitro-2-sulfamoylphenyl)sulfonylphenyl]acetamide
InChI:
InChI=1S/C14H13N3O7S2/c1-9(18)16-10-2-5-12(6-3-10)25(21,22)13-7-4-11(17(19)20)8-14(13)26(15,23)24/h2-8H,1H3,(H,16,18)(H2,15,23,24)
InChI Key:
RRYXROFGJIJXCP-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1S(=O)(=O)N)[N+](=O)[O-]
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.019g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.392g/mol
Monoisotopic Mass:
399.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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