5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide

C11H8Cl2IN3O3S — CID 166889033

IUPAC5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(I)c1Cl
InChIInChI=1S/C11H8Cl2IN3O3S/c1-20-11-8(4-6(12)5-16-11)21(18,19)17-10-9(13)7(14)2-3-15-10/h2-5H,1H3,(H,15,17)
InChIKeyWEGJZRXZNWDZIN-UHFFFAOYSA-N
MW460.08 g/mol
LogP3.20
Rot. Bonds4

About 5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide

5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide (PubChem CID 166889033) has the molecular formula C11H8Cl2IN3O3S and a molecular weight of 460.08 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide
PubChem CID166889033
Molecular FormulaC11H8Cl2IN3O3S
Molecular Weight460.08 g/mol
Exact Mass458.87
IUPAC Name5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(I)c1Cl
InChIInChI=1S/C11H8Cl2IN3O3S/c1-20-11-8(4-6(12)5-16-11)21(18,19)17-10-9(13)7(14)2-3-15-10/h2-5H,1H3,(H,15,17)
InChIKeyWEGJZRXZNWDZIN-UHFFFAOYSA-N
XLogP3.20
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.08
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-fluoro-4-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 166889391
5-chloro-N-[3-fluoro-4-[2-(1-methylimidazo[4,5-c]pyridin-7-yl)ethynyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 163682206
N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164934668
N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]-2-chlorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 138675810
5-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-2-sulfanylbenzenesulfonamide
CID 91100992
5-chloro-N-[3,5-difluoro-4-[5-fluoro-2-(2-hydroxyethylamino)quinazolin-6-yl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 170349522
5-chloro-N-[2-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 130332651
5-chloro-N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 130302764
5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide
CID 67982478
5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 163369135
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 156833302
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide (CID 166889033) is 5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(I)c1Cl.
What is the InChIKey of 5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide?
The InChIKey is WEGJZRXZNWDZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2IN3O3S/c1-20-11-8(4-6(12)5-16-11)21(18,19)17-10-9(13)7(14)2-3-15-10/h2-5H,1H3,(H,15,17).
What are the key properties of 5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide?
5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide has a molecular weight of 460.08 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 166889033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).