6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C16H14ClF3N4O5S — CID 146278088

IUPAC6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCOc1nc(OCCOC(F)F)c(F)cc1NS(=O)(=O)c1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C16H14ClF3N4O5S/c1-27-15-10(6-9(18)14(23-15)28-4-5-29-16(19)20)24-30(25,26)11-7-21-13-8(11)2-3-12(17)22-13/h2-3,6-7,16,24H,4-5H2,1H3,(H,21,22)
InChIKeyGZMLLFYQWIFLTE-UHFFFAOYSA-N
MW466.83 g/mol
LogP3.18
Rot. Bonds9

About 6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 146278088) has the molecular formula C16H14ClF3N4O5S and a molecular weight of 466.83 g/mol. Its IUPAC name is 6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID146278088
Molecular FormulaC16H14ClF3N4O5S
Molecular Weight466.83 g/mol
Exact Mass466.03
IUPAC Name6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCOc1nc(OCCOC(F)F)c(F)cc1NS(=O)(=O)c1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C16H14ClF3N4O5S/c1-27-15-10(6-9(18)14(23-15)28-4-5-29-16(19)20)24-30(25,26)11-7-21-13-8(11)2-3-12(17)22-13/h2-3,6-7,16,24H,4-5H2,1H3,(H,21,22)
InChIKeyGZMLLFYQWIFLTE-UHFFFAOYSA-N
XLogP3.18
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.83
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-6-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 150820961
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102
6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 135201156
6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]naphthalene-1-sulfonamide
CID 170733613
6-chloro-N-[4,6-dimethoxy-5-(1,1,2-trifluoroethoxy)pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 169225635
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-ethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-3-sulfonamide
CID 170733296
6-chloro-N-[5-(2-cyanoethyl)-4,6-dimethoxypyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 169225680
1-(benzenesulfonyl)-6-chloro-N-[5-fluoro-6-(1-fluoroethoxy)-2-methoxy-3-pyridinyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 155429097
6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 170682438
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-9H-pyrrolo[3,2-h]quinoline-3-sulfonamide
CID 146278092
N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-2-(dimethylamino)quinoline-5-sulfonamide
CID 170733625
(6S)-N-[6-(difluoromethoxy)-5-fluoro-2-methoxy-3-pyridinyl]-6-(trideuteriomethoxy)-6-(trifluoromethyl)-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 177334266

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 146278088) is 6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is COc1nc(OCCOC(F)F)c(F)cc1NS(=O)(=O)c1c[nH]c2nc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is GZMLLFYQWIFLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O5S/c1-27-15-10(6-9(18)14(23-15)28-4-5-29-16(19)20)24-30(25,26)11-7-21-13-8(11)2-3-12(17)22-13/h2-3,6-7,16,24H,4-5H2,1H3,(H,21,22).
What are the key properties of 6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 466.83 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[6-[2-(difluoromethoxy)ethoxy]-5-fluoro-2-methoxy-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 146278088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).