Name: Name:1H-Pyrrolo[2,3-b]pyridine, 5-broMo-1-[(4-Methylphenyl)sulfonyl]-3-(trifluoroMethyl)-
Brand: Angene
SKU: AG0095EW
Rating: 90 (10 reviews)

1H-Pyrrolo[2,3-b]pyridine, 5-broMo-1-[(4-Methylphenyl)sulfonyl]-3-(trifluoroMethyl)-

CAS No.:

1207625-37-3

Catalog Number:

AG0095EW

Molecular Formula:

C15H10BrF3N2O2S

Molecular Weight:

419.2163

Catalog Number:

AG0095EW

Chemical Name:

1H-Pyrrolo[2,3-b]pyridine, 5-broMo-1-[(4-Methylphenyl)sulfonyl]-3-(trifluoroMethyl)-

CAS Number:

1207625-37-3

Molecular Formula:

C15H10BrF3N2O2S

Molecular Weight:

419.2163

MDL Number:

MFCD15529371

IUPAC Name:

5-bromo-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine

InChI:

InChI=1S/C15H10BrF3N2O2S/c1-9-2-4-11(5-3-9)24(22,23)21-8-13(15(17,18)19)12-6-10(16)7-20-14(12)21/h2-8H,1H3

InChI Key:

CEDHAEPABHHQBI-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1ncc(c2)Br)C(F)(F)F

Complexity:

558

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

417.96g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

419.216g/mol

Monoisotopic Mass:

417.96g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4