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140671-18-7 | 2-Propenamide, 2-methyl-N-[4-[(5-thiazolylamino)sulfonyl]phenyl]-
CAS No: 140671-18-7 Catalog No: AG001CNI MDL No:
Product Description
Catalog Number:
AG001CNI
Chemical Name:
2-Propenamide, 2-methyl-N-[4-[(5-thiazolylamino)sulfonyl]phenyl]-
CAS Number:
140671-18-7
Molecular Formula:
C13H13N3O3S2
Molecular Weight:
323.3906
IUPAC Name:
2-methyl-N-[4-(1,3-thiazol-5-ylsulfamoyl)phenyl]prop-2-enamide
InChI:
InChI=1S/C13H13N3O3S2/c1-9(2)13(17)15-10-3-5-11(6-4-10)21(18,19)16-12-7-14-8-20-12/h3-8,16H,1H2,2H3,(H,15,17)
InChI Key:
FGCDRUWLTPIFIF-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cncs1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.04g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.385g/mol
Monoisotopic Mass:
323.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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