6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide

C12H10ClIN2O2S — CID 47104374

IUPAC6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H10ClIN2O2S/c1-8-6-9(14)2-4-11(8)16-19(17,18)10-3-5-12(13)15-7-10/h2-7,16H,1H3
InChIKeyNTSXLYXJRKKTBO-UHFFFAOYSA-N
MW408.65 g/mol
LogP3.45
Rot. Bonds3

About 6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide

6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide (PubChem CID 47104374) has the molecular formula C12H10ClIN2O2S and a molecular weight of 408.65 g/mol. Its IUPAC name is 6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
PubChem CID47104374
Molecular FormulaC12H10ClIN2O2S
Molecular Weight408.65 g/mol
Exact Mass407.92
IUPAC Name6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H10ClIN2O2S/c1-8-6-9(14)2-4-11(8)16-19(17,18)10-3-5-12(13)15-7-10/h2-7,16H,1H3
InChIKeyNTSXLYXJRKKTBO-UHFFFAOYSA-N
XLogP3.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.65
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
CID 4729843
N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 3865818
6-chloro-N-(3-iodo-4-methylphenyl)pyridine-3-sulfonamide
CID 26950537
6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 47298745
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245
3-[(6-chloro-3-pyridinyl)sulfonylamino]-4-methylbenzoate
CID 7940712
5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607321
3,4-diethoxy-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60597563
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide (CID 47104374) is 6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide is Cc1cc(I)ccc1NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is NTSXLYXJRKKTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2O2S/c1-8-6-9(14)2-4-11(8)16-19(17,18)10-3-5-12(13)15-7-10/h2-7,16H,1H3.
What are the key properties of 6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide?
6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 408.65 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 47104374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).