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70865-33-7 | Benzenesulfonamide,3-chloro-N-(2-chloroethyl)-4-[2-[4-[(2-hydroxyethyl)amino]-1-naphthalenyl]diazenyl]-
CAS No: 70865-33-7 Catalog No: AG005FPC MDL No:
Product Description
Catalog Number:
AG005FPC
Chemical Name:
Benzenesulfonamide,3-chloro-N-(2-chloroethyl)-4-[2-[4-[(2-hydroxyethyl)amino]-1-naphthalenyl]diazenyl]-
CAS Number:
70865-33-7
Molecular Formula:
C20H20Cl2N4O3S
Molecular Weight:
467.3688
IUPAC Name:
3-chloro-N-(2-chloroethyl)-4-[[4-(2-hydroxyethylamino)naphthalen-1-yl]diazenyl]benzenesulfonamide
InChI:
InChI=1S/C20H20Cl2N4O3S/c21-9-10-24-30(28,29)14-5-6-20(17(22)13-14)26-25-19-8-7-18(23-11-12-27)15-3-1-2-4-16(15)19/h1-8,13,23-24,27H,9-12H2
InChI Key:
ZFEWUEDSAGGNJB-UHFFFAOYSA-N
SMILES:
OCCNc1ccc(c2c1cccc2)N=Nc1ccc(cc1Cl)S(=O)(=O)NCCCl
EC Number:
274-961-1
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.063g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
467.365g/mol
Monoisotopic Mass:
466.063g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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