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138833-52-0 | Benzenesulfonamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(6-methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)amino]-
CAS No: 138833-52-0 Catalog No: AG0019NN MDL No:
Product Description
Catalog Number:
AG0019NN
Chemical Name:
Benzenesulfonamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(6-methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)amino]-
CAS Number:
138833-52-0
Molecular Formula:
C17H16N4O5S2
Molecular Weight:
420.4627
IUPAC Name:
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)-(6-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)amino]benzenesulfonic acid
InChI:
InChI=1S/C17H15N3O6S2/c1-3-16-18-19-17(27-16)20(10-6-4-5-7-15(10)28(23,24)25)11-8-12(21)13(22)9-14(11)26-2/h4-9H,3H2,1-2H3,(H,23,24,25)
InChI Key:
NAYANZIXBCFMOF-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(=O)C=C1Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)CC
Properties
Complexity:
804
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.04g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.442g/mol
Monoisotopic Mass:
421.04g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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