Name: Name:3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
Brand: Angene
SKU: AG00HH3M
Rating: 90 (10 reviews)

3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

CAS No.:

1228666-07-6

Catalog Number:

AG00HH3M

Molecular Formula:

C14H11IN2O2S

Molecular Weight:

398.2188

Catalog Number:

AG00HH3M

Chemical Name:

3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

CAS Number:

1228666-07-6

Molecular Formula:

C14H11IN2O2S

Molecular Weight:

398.2188

IUPAC Name:

1-(benzenesulfonyl)-3-iodo-5-methylpyrrolo[2,3-b]pyridine

InChI:

InChI=1S/C14H11IN2O2S/c1-10-7-12-13(15)9-17(14(12)16-8-10)20(18,19)11-5-3-2-4-6-11/h2-9H,1H3

InChI Key:

FFIDQLBOGUNEHY-UHFFFAOYSA-N

SMILES:

Cc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1

Complexity:

445

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

397.959g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

398.218g/mol

Monoisotopic Mass:

397.959g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5