N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide

C17H15ClIN3O3S2 — CID 68794347

IUPACN-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccs2)c(Nc2ccc(I)cc2Cl)n(C)c1=O
InChIInChI=1S/C17H15ClIN3O3S2/c1-10-8-14(21-27(24,25)15-4-3-7-26-15)16(22(2)17(10)23)20-13-6-5-11(19)9-12(13)18/h3-9,20-21H,1-2H3
InChIKeyWRJLTKJETHKCTL-UHFFFAOYSA-N
MW535.82 g/mol
LogP4.56
Rot. Bonds5

About N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide

N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 68794347) has the molecular formula C17H15ClIN3O3S2 and a molecular weight of 535.82 g/mol. Its IUPAC name is N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID68794347
Molecular FormulaC17H15ClIN3O3S2
Molecular Weight535.82 g/mol
Exact Mass534.93
IUPAC NameN-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccs2)c(Nc2ccc(I)cc2Cl)n(C)c1=O
InChIInChI=1S/C17H15ClIN3O3S2/c1-10-8-14(21-27(24,25)15-4-3-7-26-15)16(22(2)17(10)23)20-13-6-5-11(19)9-12(13)18/h3-9,20-21H,1-2H3
InChIKeyWRJLTKJETHKCTL-UHFFFAOYSA-N
XLogP4.56
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.82
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
CID 68792846
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-(5-bromo-2-chlorophenyl)thiophene-2-sulfonamide
CID 55132063
5-[(2-chloro-4-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39875545
5-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]-3-methylfuran-2-carboxylic acid
CID 118090945
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide (CID 68794347) is N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2cccs2)c(Nc2ccc(I)cc2Cl)n(C)c1=O.
What is the InChIKey of N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is WRJLTKJETHKCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClIN3O3S2/c1-10-8-14(21-27(24,25)15-4-3-7-26-15)16(22(2)17(10)23)20-13-6-5-11(19)9-12(13)18/h3-9,20-21H,1-2H3.
What are the key properties of N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide?
N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 535.82 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 68794347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).