CAS 40899-71-6 | 1-(Phenylsulfonyl)-1H-indole | CAS Number 40899-71-6

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40899-71-6 | 1-(Phenylsulfonyl)-1H-indole

CAS No: 40899-71-6 Catalog No: AG003D3Z MDL No:MFCD00134318

Product Description

Catalog Number:

AG003D3Z

Chemical Name:

1-(Phenylsulfonyl)-1H-indole

CAS Number:

40899-71-6

Molecular Formula:

C14H11NO2S

Molecular Weight:

257.3076

MDL Number:

MFCD00134318

IUPAC Name:

1-(benzenesulfonyl)indole

InChI:

InChI=1S/C14H11NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-11H

InChI Key:

VDWLCYCWLIKWBV-UHFFFAOYSA-N

SMILES:

O=S(=O)(n1ccc2c1cccc2)c1ccccc1

Properties

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.307g/mol

Monoisotopic Mass:

257.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Anti HIV-1 agents 5: synthesis and anti-HIV-1 activity of some N-arylsulfonyl-3-acetylindoles in vitro.	Bioorganic & medicinal chemistry letters 20100615
The synthesis of 2- and 3-aryl indoles and 1,3,4,5-tetrahydropyrano[4,3-b]indoles and their antibacterial and antifungal activity.	Bioorganic & medicinal chemistry letters 20090901
Novel heteroaromatic organofluorine inhibitors of fructose-1,6-bisphosphatase.	Journal of medicinal chemistry 20090212
Novel chemical enhancers of heat shock increase thermal radiosensitization through a mitotic catastrophe pathway.	Cancer research 20070115
Design, molecular modeling, synthesis, and anti-HIV-1 activity of new indolyl aryl sulfones. Novel derivatives of the indole-2-carboxamide.	Journal of medicinal chemistry 20060601
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
Novel indolyl aryl sulfones active against HIV-1 carrying NNRTI resistance mutations: synthesis and SAR studies.	Journal of medicinal chemistry 20030605