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89782-64-9 | Propanamide, N-[5-[(phenylsulfonyl)amino]-1,3,4-thiadiazol-2-yl]-
CAS No: 89782-64-9 Catalog No: AG003YNH MDL No:
Product Description
Catalog Number:
AG003YNH
Chemical Name:
Propanamide, N-[5-[(phenylsulfonyl)amino]-1,3,4-thiadiazol-2-yl]-
CAS Number:
89782-64-9
Molecular Formula:
C11H12N4O3S2
Molecular Weight:
312.3680
IUPAC Name:
N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide
InChI:
InChI=1S/C11H12N4O3S2/c1-2-9(16)12-10-13-14-11(19-10)15-20(17,18)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15)(H,12,13,16)
InChI Key:
IMAKRXSQYMINTN-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1nnc(s1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.362g/mol
Monoisotopic Mass:
312.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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