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88796-80-9 | Benzenesulfonamide, N-[4-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]-
CAS No: 88796-80-9 Catalog No: AG004ARZ MDL No:
Product Description
Catalog Number:
AG004ARZ
Chemical Name:
Benzenesulfonamide, N-[4-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]-
CAS Number:
88796-80-9
Molecular Formula:
C20H18N2O4S
Molecular Weight:
382.4329
IUPAC Name:
N-[4-[2-(1,3-dioxolan-2-yl)pyridin-4-yl]phenyl]benzenesulfonamide
InChI:
InChI=1S/C20H18N2O4S/c23-27(24,18-4-2-1-3-5-18)22-17-8-6-15(7-9-17)16-10-11-21-19(14-16)20-25-12-13-26-20/h1-11,14,20,22H,12-13H2
InChI Key:
XNPAYPHVUWXKRS-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Nc1ccc(cc1)c1ccnc(c1)C1OCCO1
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.099g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.434g/mol
Monoisotopic Mass:
382.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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