N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C23H13ClF2N4O3S — CID 71556507

IUPACN-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2coc3ncc(-c4ccncc4)cc23)cnc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C23H13ClF2N4O3S/c24-22-20(30-34(31,32)21-2-1-16(25)9-19(21)26)8-15(11-28-22)18-12-33-23-17(18)7-14(10-29-23)13-3-5-27-6-4-13/h1-12,30H
InChIKeyXHHJWCOSQDGMHO-UHFFFAOYSA-N
MW498.90 g/mol
LogP5.68
Rot. Bonds5

About N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 71556507) has the molecular formula C23H13ClF2N4O3S and a molecular weight of 498.90 g/mol. Its IUPAC name is N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID71556507
Molecular FormulaC23H13ClF2N4O3S
Molecular Weight498.90 g/mol
Exact Mass498.04
IUPAC NameN-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2coc3ncc(-c4ccncc4)cc23)cnc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C23H13ClF2N4O3S/c24-22-20(30-34(31,32)21-2-1-16(25)9-19(21)26)8-15(11-28-22)18-12-33-23-17(18)7-14(10-29-23)13-3-5-27-6-4-13/h1-12,30H
InChIKeyXHHJWCOSQDGMHO-UHFFFAOYSA-N
XLogP5.68
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.90
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 71556507) is N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2coc3ncc(-c4ccncc4)cc23)cnc1Cl)c1ccc(F)cc1F.
What is the InChIKey of N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is XHHJWCOSQDGMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF2N4O3S/c24-22-20(30-34(31,32)21-2-1-16(25)9-19(21)26)8-15(11-28-22)18-12-33-23-17(18)7-14(10-29-23)13-3-5-27-6-4-13/h1-12,30H.
What are the key properties of N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 498.90 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(5-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 71556507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).