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Home > Sulfanilamide > 69360-16-3
69360-16-3 | Benzenesulfonamide, 2-cyano-N-phenyl-
CAS No: 69360-16-3 Catalog No: AG005N96 MDL No:MFCD04940987
Product Description
Catalog Number:
AG005N96
Chemical Name:
Benzenesulfonamide, 2-cyano-N-phenyl-
CAS Number:
69360-16-3
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
MDL Number:
MFCD04940987
IUPAC Name:
2-cyano-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C13H10N2O2S/c14-10-11-6-4-5-9-13(11)18(16,17)15-12-7-2-1-3-8-12/h1-9,15H
InChI Key:
IQNKZUQUGOTVLG-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1S(=O)(=O)Nc1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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