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Home > Boronic Acids > 1162681-06-2
1162681-06-2 | Benzenesulfonamide, 4-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-
CAS No: 1162681-06-2 Catalog No: AG000C2E MDL No:
Product Description
Catalog Number:
AG000C2E
Chemical Name:
Benzenesulfonamide, 4-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-
CAS Number:
1162681-06-2
Molecular Formula:
C18H23BN2O4S
Molecular Weight:
374.2622
IUPAC Name:
4-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide
InChI:
InChI=1S/C18H23BN2O4S/c1-13-6-8-16(9-7-13)26(22,23)21-15-10-14(11-20-12-15)19-24-17(2,3)18(4,5)25-19/h6-12,21H,1-5H3
InChI Key:
IBISAZFJDGPWRT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.262g/mol
Monoisotopic Mass:
374.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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