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124869-79-0 | Acetamide, N-[4-[[(1-methyl-2-pyrrolidinylidene)amino]sulfonyl]phenyl]-
CAS No: 124869-79-0 Catalog No: AG000MTK MDL No:
Product Description
Catalog Number:
AG000MTK
Chemical Name:
Acetamide, N-[4-[[(1-methyl-2-pyrrolidinylidene)amino]sulfonyl]phenyl]-
CAS Number:
124869-79-0
Molecular Formula:
C13H17N3O3S
Molecular Weight:
295.3574
IUPAC Name:
N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
InChI:
InChI=1S/C13H17N3O3S/c1-10(17)14-11-5-7-12(8-6-11)20(18,19)15-13-4-3-9-16(13)2/h5-8H,3-4,9H2,1-2H3,(H,14,17)
InChI Key:
PDIKGBWNJGOYCM-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N=C1CCCN1C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.357g/mol
Monoisotopic Mass:
295.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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