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Home > Pyridines > 1193387-41-5
1193387-41-5 | 1-{1H-pyrrolo[2,3-b]pyridine-3-sulfonyl}piperazine
CAS No: 1193387-41-5 Catalog No: AG019WEK MDL No:MFCD12913000
Product Description
Catalog Number:
AG019WEK
Chemical Name:
1-{1H-pyrrolo[2,3-b]pyridine-3-sulfonyl}piperazine
CAS Number:
1193387-41-5
Molecular Formula:
C11H14N4O2S
Molecular Weight:
266.3195
MDL Number:
MFCD12913000
IUPAC Name:
3-piperazin-1-ylsulfonyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C11H14N4O2S/c16-18(17,15-6-4-12-5-7-15)10-8-14-11-9(10)2-1-3-13-11/h1-3,8,12H,4-7H2,(H,13,14)
InChI Key:
VTMBSTPGBSMDNH-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1c[nH]c2c1cccn2)N1CCNCC1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.319g/mol
Monoisotopic Mass:
266.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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