CAS 1156-50-9 | Benzene, 1,1'-sulfonylbis[4-nitro- | CAS Number 1156-50-9

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1156-50-9 | Benzene, 1,1'-sulfonylbis[4-nitro-

CAS No: 1156-50-9 Catalog No: AG000G8W MDL No:MFCD00010447

Product Description

Catalog Number:

AG000G8W

Chemical Name:

Benzene, 1,1'-sulfonylbis[4-nitro-

CAS Number:

1156-50-9

Molecular Formula:

C12H8N2O6S

Molecular Weight:

308.2667

MDL Number:

MFCD00010447

IUPAC Name:

1-nitro-4-(4-nitrophenyl)sulfonylbenzene

InChI:

InChI=1S/C12H8N2O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H

InChI Key:

BVHNGWRPAFKGFP-UHFFFAOYSA-N

SMILES:

O=S(=O)(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]

EC Number:

214-589-9

NSC Number:

20609

Properties

Complexity:

447

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

308.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

308.264g/mol

Monoisotopic Mass:

308.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

134A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease.	Journal of medicinal chemistry 20060824
Diarylsulfones, a novel class of human immunodeficiency virus type 1 integrase inhibitors.	Antimicrobial agents and chemotherapy 19970201