Name: Name:1-(Phenylsulfonyl)-1H-indole-2-carbaldehyde
Brand: Angene
SKU: AG005BH6
Rating: 90 (10 reviews)

1-(Phenylsulfonyl)-1H-indole-2-carbaldehyde

CAS No.:

80360-23-2

Catalog Number:

AG005BH6

Molecular Formula:

C15H11NO3S

Molecular Weight:

285.3177

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Product Description

Catalog Number:

AG005BH6

Chemical Name:

1-(Phenylsulfonyl)-1H-indole-2-carbaldehyde

CAS Number:

80360-23-2

Molecular Formula:

C15H11NO3S

Molecular Weight:

285.3177

IUPAC Name:

1-(benzenesulfonyl)indole-2-carbaldehyde

InChI:

InChI=1S/C15H11NO3S/c17-11-13-10-12-6-4-5-9-15(12)16(13)20(18,19)14-7-2-1-3-8-14/h1-11H

InChI Key:

NWVOBVXBWUGTTO-UHFFFAOYSA-N

SMILES:

O=Cc1cc2c(n1S(=O)(=O)c1ccccc1)cccc2

Properties

Complexity:

450

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.317g/mol

Monoisotopic Mass:

285.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Docking and 3-D QSAR studies on indolyl aryl sulfones. Binding mode exploration at the HIV-1 reverse transcriptase non-nucleoside binding site and design of highly active N-(2-hydroxyethyl)carboxamide and N-(2-hydroxyethyl)carbohydrazide derivatives.	Journal of medicinal chemistry 20050113

Properties