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167321-71-3 | Benzenesulfonamide, N,N'-1,4-naphthalenediylbis[4-chloro-
CAS No: 167321-71-3 Catalog No: AG001XB6 MDL No:
Product Description
Catalog Number:
AG001XB6
Chemical Name:
Benzenesulfonamide, N,N'-1,4-naphthalenediylbis[4-chloro-
CAS Number:
167321-71-3
Molecular Formula:
C22H16Cl2N2O4S2
Molecular Weight:
507.4094
IUPAC Name:
4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
InChI:
InChI=1S/C22H16Cl2N2O4S2/c23-15-5-9-17(10-6-15)31(27,28)25-21-13-14-22(20-4-2-1-3-19(20)21)26-32(29,30)18-11-7-16(24)8-12-18/h1-14,25-26H
InChI Key:
XNUCDMDHVWJDIP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)Nc1ccc(c2c1cccc2)NS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
757
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.993g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
507.4g/mol
Monoisotopic Mass:
505.993g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Improved, selective, human intestinal carboxylesterase inhibitors designed to modulate 7-ethyl-10-[4-(1-piperidino)-1-piperidino]carbonyloxycamptothecin (Irinotecan; CPT-11) toxicity. | Journal of medicinal chemistry 20090625 |
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