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89782-65-0 | Butanamide, N-[5-[(phenylsulfonyl)amino]-1,3,4-thiadiazol-2-yl]-
CAS No: 89782-65-0 Catalog No: AG003ZWS MDL No:
Product Description
Catalog Number:
AG003ZWS
Chemical Name:
Butanamide, N-[5-[(phenylsulfonyl)amino]-1,3,4-thiadiazol-2-yl]-
CAS Number:
89782-65-0
Molecular Formula:
C12H14N4O3S2
Molecular Weight:
326.3946
IUPAC Name:
N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]butanamide
InChI:
InChI=1S/C12H14N4O3S2/c1-2-6-10(17)13-11-14-15-12(20-11)16-21(18,19)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,15,16)(H,13,14,17)
InChI Key:
WQSSFFGIUVJKCG-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1nnc(s1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.389g/mol
Monoisotopic Mass:
326.051g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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