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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Related Compounds

N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 71556566
N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 78318658
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-[5-(5-amino-4-methyl-3-oxo-[1,4]oxazino[3,2-c]quinolin-9-yl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 86294167
N-[2-chloro-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 59859963
N-[5-[4-(7-amino-5-azaspiro[2.4]heptan-5-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 90033860
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390
N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 118302673
N-[2-chloro-5-[4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66558383
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
N-[2-chloro-5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66558473

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).