Name: Name:N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
Brand: Angene
SKU: AG0039T0
Rating: 90 (10 reviews)

N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide

CAS No.:

918504-27-5

Catalog Number:

AG0039T0

Molecular Formula:

C17H14BrF2N3O3S

Molecular Weight:

458.2772

Catalog Number:

AG0039T0

Chemical Name:

N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide

CAS Number:

918504-27-5

Molecular Formula:

C17H14BrF2N3O3S

Molecular Weight:

458.2772

MDL Number:

MFCD18207768

IUPAC Name:

N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide

InChI:

InChI=1S/C17H14BrF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)

InChI Key:

TVFGCDQPUZGXMQ-UHFFFAOYSA-N

SMILES:

CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(Br)cn2)F

Complexity:

648

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

456.991g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

458.278g/mol

Monoisotopic Mass:

456.991g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

100A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4