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89565-46-8 | Benzamide, 3-nitro-N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-
CAS No: 89565-46-8 Catalog No: AG003ZC0 MDL No:
Product Description
Catalog Number:
AG003ZC0
Chemical Name:
Benzamide, 3-nitro-N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-
CAS Number:
89565-46-8
Molecular Formula:
C18H14N4O5S
Molecular Weight:
398.3926
IUPAC Name:
3-nitro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
InChI:
InChI=1S/C18H14N4O5S/c23-18(13-4-3-5-15(12-13)22(24)25)20-14-7-9-16(10-8-14)28(26,27)21-17-6-1-2-11-19-17/h1-12H,(H,19,21)(H,20,23)
InChI Key:
MMGZUUOXWSJERU-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.068g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.393g/mol
Monoisotopic Mass:
398.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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