CAS 16993-45-6 | 1,4-Benzenedisulfonamide | CAS Number 16993-45-6

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16993-45-6 | 1,4-Benzenedisulfonamide

CAS No: 16993-45-6 Catalog No: AG00AULJ MDL No:MFCD11204818

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.993g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.26g/mol

Monoisotopic Mass:

235.993g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

137A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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