Name: Name:1H-Pyrrolo[2,3-b]pyridine, 4-(3-bromo-2-thienyl)-1-[(4-methylphenyl)sulfonyl]-
Brand: Angene
SKU: AG00ILYK
Rating: 90 (10 reviews)

1H-Pyrrolo[2,3-b]pyridine, 4-(3-bromo-2-thienyl)-1-[(4-methylphenyl)sulfonyl]-

CAS No.:

942920-42-5

Catalog Number:

AG00ILYK

Molecular Formula:

C18H13BrN2O2S2

Molecular Weight:

433.3420

Catalog Number:

AG00ILYK

Chemical Name:

1H-Pyrrolo[2,3-b]pyridine, 4-(3-bromo-2-thienyl)-1-[(4-methylphenyl)sulfonyl]-

CAS Number:

942920-42-5

Molecular Formula:

C18H13BrN2O2S2

Molecular Weight:

433.3420

MDL Number:

MFCD15529515

IUPAC Name:

4-(3-bromothiophen-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

InChI:

InChI=1S/C18H13BrN2O2S2/c1-12-2-4-13(5-3-12)25(22,23)21-10-7-15-14(6-9-20-18(15)21)17-16(19)8-11-24-17/h2-11H,1H3

InChI Key:

UZHXYAIKTCQGHG-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)n1ccc2c1nccc2c1sccc1Br

Complexity:

574

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

431.96g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

433.338g/mol

Monoisotopic Mass:

431.96g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9