Home Sulfos 1,4-Benzenedisulfonamide

1,4-Benzenedisulfonamide

CAS No.:
16993-45-6
Catalog Number:
AG00AULJ
Molecular Formula:
C6H8N2O4S2
Molecular Weight:
236.2687
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Product Description
Catalog Number:
AG00AULJ
Chemical Name:
1,4-Benzenedisulfonamide
CAS Number:
16993-45-6
Molecular Formula:
C6H8N2O4S2
Molecular Weight:
236.2687
MDL Number:
MFCD11204818
IUPAC Name:
benzene-1,4-disulfonamide
InChI:
InChI=1S/C6H8N2O4S2/c7-13(9,10)5-1-2-6(4-3-5)14(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
InChI Key:
WOUBWJAJSXAOIV-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.993g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.26g/mol
Monoisotopic Mass:
235.993g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
A dose-escalation study of indisulam in combination with capecitabine (Xeloda) in patients with solid tumours. British journal of cancer 20080422
A phase I and pharmacokinetic study of indisulam in combination with carboplatin. British journal of cancer 20070226
Quantitative determination of the novel anticancer drug E7070 (indisulam) and its metabolite (1,4-benzenedisulphonamide) in human plasma, urine and faeces by high-performance liquid chromatography coupled with electrospray ionization tandem mass spectrometry. Rapid communications in mass spectrometry : RCM 20040101
Properties