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Home > Pyridines > 858117-35-8
858117-35-8 | Benzenesulfonamide, 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-
CAS No: 858117-35-8 Catalog No: AG004XTW MDL No:
Product Description
Catalog Number:
AG004XTW
Chemical Name:
Benzenesulfonamide, 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-
CAS Number:
858117-35-8
Molecular Formula:
C18H21N3O2S
Molecular Weight:
343.4432
IUPAC Name:
4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C18H21N3O2S/c1-2-3-5-14-7-9-16(10-8-14)24(22,23)21-13-15-12-20-18-17(15)6-4-11-19-18/h4,6-12,21H,2-3,5,13H2,1H3,(H,19,20)
InChI Key:
IYVJDOYSSSVBIJ-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)S(=O)(=O)NCc1c[nH]c2c1cccn2
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.445g/mol
Monoisotopic Mass:
343.135g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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