5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H10ClIN2O3S — CID 64607321

IUPAC5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H10ClIN2O3S/c1-7-4-8(14)2-3-11(7)16-20(18,19)9-5-10(13)12(17)15-6-9/h2-6,16H,1H3,(H,15,17)
InChIKeyKDXOCUOBEIFURI-UHFFFAOYSA-N
MW424.65 g/mol
LogP2.74
Rot. Bonds3

About 5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64607321) has the molecular formula C12H10ClIN2O3S and a molecular weight of 424.65 g/mol. Its IUPAC name is 5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64607321
Molecular FormulaC12H10ClIN2O3S
Molecular Weight424.65 g/mol
Exact Mass423.91
IUPAC Name5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H10ClIN2O3S/c1-7-4-8(14)2-3-11(7)16-20(18,19)9-5-10(13)12(17)15-6-9/h2-6,16H,1H3,(H,15,17)
InChIKeyKDXOCUOBEIFURI-UHFFFAOYSA-N
XLogP2.74
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.65
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608237
5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606531
N-(2-bromo-3-chlorophenyl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 103481116
6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 47104374
4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60640804
5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608816
5-chloro-N-(2,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606342
5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607514
5-chloro-N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607480
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245
2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64607321) is 5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is Cc1cc(I)ccc1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is KDXOCUOBEIFURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2O3S/c1-7-4-8(14)2-3-11(7)16-20(18,19)9-5-10(13)12(17)15-6-9/h2-6,16H,1H3,(H,15,17).
What are the key properties of 5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 424.65 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64607321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).