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554404-44-3 | N-[3-(hydrazinecarbonyl)-5-(thiophene-2-sulfonamido)phenyl]thiophene-2-sulfonamide
CAS No: 554404-44-3 Catalog No: AG019HL0 MDL No:MFCD03965298
Product Description
Catalog Number:
AG019HL0
Chemical Name:
N-[3-(hydrazinecarbonyl)-5-(thiophene-2-sulfonamido)phenyl]thiophene-2-sulfonamide
CAS Number:
554404-44-3
Molecular Formula:
C15H14N4O5S4
Molecular Weight:
458.5555
MDL Number:
MFCD03965298
IUPAC Name:
N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
InChI:
InChI=1S/C15H14N4O5S4/c16-17-15(20)10-7-11(18-27(21,22)13-3-1-5-25-13)9-12(8-10)19-28(23,24)14-4-2-6-26-14/h1-9,18-19H,16H2,(H,17,20)
InChI Key:
MGLROXORLYYUJD-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(cc(c1)NS(=O)(=O)c1cccs1)NS(=O)(=O)c1cccs1
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.985g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
458.54g/mol
Monoisotopic Mass:
457.985g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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