CAS 99532-45-3 | 1H-Indole, 3-acetyl-1-(phenylsulfonyl)- | CAS Number 99532-45-3

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99532-45-3 | 1H-Indole, 3-acetyl-1-(phenylsulfonyl)-

CAS No: 99532-45-3 Catalog No: AG006NPS MDL No:

Product Description

Catalog Number:

AG006NPS

Chemical Name:

1H-Indole, 3-acetyl-1-(phenylsulfonyl)-

CAS Number:

99532-45-3

Molecular Formula:

C16H13NO3S

Molecular Weight:

299.3443

IUPAC Name:

1-[1-(benzenesulfonyl)indol-3-yl]ethanone

InChI:

InChI=1S/C16H13NO3S/c1-12(18)15-11-17(16-10-6-5-9-14(15)16)21(19,20)13-7-3-2-4-8-13/h2-11H,1H3

InChI Key:

BCTGWINDWUUVQL-UHFFFAOYSA-N

SMILES:

CC(=O)c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1

Properties

Complexity:

490

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

299.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

299.344g/mol

Monoisotopic Mass:

299.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.5A^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
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