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828920-91-8 | Benzenesulfonamide, N-[5-(1-pyrrolidinyl)-2-thiazolyl]-
CAS No: 828920-91-8 Catalog No: AG0054UG MDL No:
Product Description
Catalog Number:
AG0054UG
Chemical Name:
Benzenesulfonamide, N-[5-(1-pyrrolidinyl)-2-thiazolyl]-
CAS Number:
828920-91-8
Molecular Formula:
C13H15N3O2S2
Molecular Weight:
309.4071
IUPAC Name:
N-(5-pyrrolidin-1-yl-1,3-thiazol-2-yl)benzenesulfonamide
InChI:
InChI=1S/C13H15N3O2S2/c17-20(18,11-6-2-1-3-7-11)15-13-14-10-12(19-13)16-8-4-5-9-16/h1-3,6-7,10H,4-5,8-9H2,(H,14,15)
InChI Key:
WLYOFNNCFSALGO-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Nc1ncc(s1)N1CCCC1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.061g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.402g/mol
Monoisotopic Mass:
309.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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