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Home > Sulfanilamide > 84015-70-3
84015-70-3 | 2H-1-Benzopyran-6-sulfonamide, 2-oxo-N-(phenylmethyl)-
CAS No: 84015-70-3 Catalog No: AG004QFJ MDL No:
Product Description
Catalog Number:
AG004QFJ
Chemical Name:
2H-1-Benzopyran-6-sulfonamide, 2-oxo-N-(phenylmethyl)-
CAS Number:
84015-70-3
Molecular Formula:
C16H13NO4S
Molecular Weight:
315.3437
IUPAC Name:
N-benzyl-2-oxochromene-6-sulfonamide
InChI:
InChI=1S/C16H13NO4S/c18-16-9-6-13-10-14(7-8-15(13)21-16)22(19,20)17-11-12-4-2-1-3-5-12/h1-10,17H,11H2
InChI Key:
CVVQPCKEMAZSNI-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)ccc(c2)S(=O)(=O)NCc1ccccc1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.057g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.343g/mol
Monoisotopic Mass:
315.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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