Text Search
Structure Search

N-{3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide

N-{3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide

CAS: 1262985-23-8

Formula: C30H20Cl3F2N3O4S

SMILES: CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CN(C(=O)C3=C(Cl)C=CC=C3Cl)C3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1

IUPAC: N-{3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide

InChI: InChI=1S/C30H20Cl3F2N3O4S/c1-2-12-43(41,42)37-24-11-10-23(34)26(27(24)35)28(39)20-15-38(30(40)25-21(32)4-3-5-22(25)33)29-19(20)13-17(14-36-29)16-6-8-18(31)9-7-16/h3-11,13-15,37H,2,12H2,1H3

Composition: C (54.36%), H (3.04%), Cl (16.04%), F (5.73%), N (6.34%), O (9.65%), S (4.84%)

Molar Mass: 662.91

Atom Count: 63

Heavy Atom Count: 43

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 661.0208167
Formal Charge 0
FSP3 0.1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey PPUPUTQAJAIAIF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 161.52
Topological Polar Surface Area 98.13
Polarizability 63.9
Ring Count 5
Rotatable Bond Count 7

Suppliers

No suppliers are currently stocking this item.