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

C25H18ClN3O4S — CID 71556566

IUPACN-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3coc4ncc(-c5ccccc5)cc34)cnc2Cl)cc1
InChIInChI=1S/C25H18ClN3O4S/c1-32-19-7-9-20(10-8-19)34(30,31)29-23-12-18(14-27-24(23)26)22-15-33-25-21(22)11-17(13-28-25)16-5-3-2-4-6-16/h2-15,29H,1H3
InChIKeyICZVAPAZQCEKQO-UHFFFAOYSA-N
MW491.96 g/mol
LogP6.02
Rot. Bonds6

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

N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 71556566) has the molecular formula C25H18ClN3O4S and a molecular weight of 491.96 g/mol. Its IUPAC name is N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID71556566
Molecular FormulaC25H18ClN3O4S
Molecular Weight491.96 g/mol
Exact Mass491.07
IUPAC NameN-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3coc4ncc(-c5ccccc5)cc34)cnc2Cl)cc1
InChIInChI=1S/C25H18ClN3O4S/c1-32-19-7-9-20(10-8-19)34(30,31)29-23-12-18(14-27-24(23)26)22-15-33-25-21(22)11-17(13-28-25)16-5-3-2-4-6-16/h2-15,29H,1H3
InChIKeyICZVAPAZQCEKQO-UHFFFAOYSA-N
XLogP6.02
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.96
LogP ≤ 56.02
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-pyridin-4-ylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 71556507
5-[6-chloro-5-[(4-phenylphenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 162647933
N-[2-chloro-5-[4-(4-methoxypiperidin-1-yl)quinolin-6-yl]-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 44610158
N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 87177165
N-[5-[6-chloro-5-[[4-(4-methoxyphenoxy)phenyl]sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 87176939
4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
2-amino-N-[4-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]phenyl]-3-methylbutanamide
CID 175276585
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-pyridin-4-ylquinazolin-2-yl]acetamide
CID 25144376
N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide
CID 87554239
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide (CID 71556566) is N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(-c3coc4ncc(-c5ccccc5)cc34)cnc2Cl)cc1.
What is the InChIKey of N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is ICZVAPAZQCEKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O4S/c1-32-19-7-9-20(10-8-19)34(30,31)29-23-12-18(14-27-24(23)26)22-15-33-25-21(22)11-17(13-28-25)16-5-3-2-4-6-16/h2-15,29H,1H3.
What are the key properties of N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
N-[2-chloro-5-(5-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 491.96 g/mol, XLogP of 6.02, 6 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-phenylfuro[2,3-b]pyridin-3-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71556566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).