6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide

C12H8IN3O2S — CID 115602123

IUPAC6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cn1
InChIInChI=1S/C12H8IN3O2S/c13-9-1-3-10(4-2-9)16-19(17,18)12-6-5-11(7-14)15-8-12/h1-6,8,16H
InChIKeyOLALVUZOWUSTMZ-UHFFFAOYSA-N
MW385.19 g/mol
LogP2.36
Rot. Bonds3

About 6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide

6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide (PubChem CID 115602123) has the molecular formula C12H8IN3O2S and a molecular weight of 385.19 g/mol. Its IUPAC name is 6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
PubChem CID115602123
Molecular FormulaC12H8IN3O2S
Molecular Weight385.19 g/mol
Exact Mass384.94
IUPAC Name6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cn1
InChIInChI=1S/C12H8IN3O2S/c13-9-1-3-10(4-2-9)16-19(17,18)12-6-5-11(7-14)15-8-12/h1-6,8,16H
InChIKeyOLALVUZOWUSTMZ-UHFFFAOYSA-N
XLogP2.36
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248
6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 113229615
6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
CID 115602177
6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 115602183
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563
3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid
CID 115602113
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109
6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 114613901
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide (CID 115602123) is 6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cn1.
What is the InChIKey of 6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide?
The InChIKey is OLALVUZOWUSTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8IN3O2S/c13-9-1-3-10(4-2-9)16-19(17,18)12-6-5-11(7-14)15-8-12/h1-6,8,16H.
What are the key properties of 6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide?
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide has a molecular weight of 385.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).