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102169-52-8 | Benzoic acid, 2-(aminosulfonyl)-, hydrazide
CAS No: 102169-52-8 Catalog No: AG0006SM MDL No:MFCD03986492
Product Description
Catalog Number:
AG0006SM
Chemical Name:
Benzoic acid, 2-(aminosulfonyl)-, hydrazide
CAS Number:
102169-52-8
Molecular Formula:
C7H9N3O3S
Molecular Weight:
215.2297
MDL Number:
MFCD03986492
IUPAC Name:
2-(hydrazinecarbonyl)benzenesulfonamide
InChI:
InChI=1S/C7H9N3O3S/c8-10-7(11)5-3-1-2-4-6(5)14(9,12)13/h1-4H,8H2,(H,10,11)(H2,9,12,13)
InChI Key:
YWPOXIABDFDDSR-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccccc1S(=O)(=O)N
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.227g/mol
Monoisotopic Mass:
215.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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