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Home > Nitro Compounds > 455886-80-3
455886-80-3 | 2-nitro-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CAS No: 455886-80-3 Catalog No: AG00IVBQ MDL No:MFCD01567690
Product Description
Catalog Number:
AG00IVBQ
Chemical Name:
2-nitro-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CAS Number:
455886-80-3
Molecular Formula:
C17H13N5O5S
Molecular Weight:
399.3806
MDL Number:
MFCD01567690
IUPAC Name:
2-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
InChI:
InChI=1S/C17H13N5O5S/c23-16(14-4-1-2-5-15(14)22(24)25)20-12-6-8-13(9-7-12)28(26,27)21-17-18-10-3-11-19-17/h1-11H,(H,20,23)(H,18,19,21)
InChI Key:
QESMZPRAFIQREP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.064g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.381g/mol
Monoisotopic Mass:
399.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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