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58779-63-8 | 3-oxo-2-azatricyclo[6.3.1.0,4,12]dodeca-1(12),4,6,8,10-pentaene-9-sulfonamide
CAS No: 58779-63-8 Catalog No: AG01BU0P MDL No:MFCD02642946
Product Description
Catalog Number:
AG01BU0P
Chemical Name:
3-oxo-2-azatricyclo[6.3.1.0,4,12]dodeca-1(12),4,6,8,10-pentaene-9-sulfonamide
CAS Number:
58779-63-8
Molecular Formula:
C11H8N2O3S
Molecular Weight:
248.2578
MDL Number:
MFCD02642946
IUPAC Name:
2-oxo-1H-benzo[cd]indole-6-sulfonamide
InChI:
InChI=1S/C11H8N2O3S/c12-17(15,16)9-5-4-8-10-6(9)2-1-3-7(10)11(14)13-8/h1-5H,(H,13,14)(H2,12,15,16)
InChI Key:
IAAAAIVRZUVFHS-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c3c1cccc3c(cc2)S(=O)(=O)N
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.256g/mol
Monoisotopic Mass:
248.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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