CAS 3112-80-9 | Benzene, 1,1'-sulfonylbis[4-methoxy- | CAS Number 3112-80-9

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3112-80-9 | Benzene, 1,1'-sulfonylbis[4-methoxy-

CAS No: 3112-80-9 Catalog No: AG003263 MDL No:

Product Description

Catalog Number:

AG003263

Chemical Name:

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

CAS Number:

3112-80-9

Molecular Formula:

C14H14O4S

Molecular Weight:

278.3236

IUPAC Name:

1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene

InChI:

InChI=1S/C14H14O4S/c1-17-11-3-7-13(8-4-11)19(15,16)14-9-5-12(18-2)6-10-14/h3-10H,1-2H3

InChI Key:

WXPWTKPQXYLOJH-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OC

NSC Number:

43075

Properties

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.322g/mol

Monoisotopic Mass:

278.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Use of simple docking methods to screen a virtual library for heteroactivators of cytochrome P450 2C9.	Journal of medicinal chemistry 20070322
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501