6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide

C13H11N3O2S2 — CID 115602109

IUPAC6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1
InChIInChI=1S/C13H11N3O2S2/c1-19-12-4-2-3-10(7-12)16-20(17,18)13-6-5-11(8-14)15-9-13/h2-7,9,16H,1H3
InChIKeyIHZPLKVAFDBSAM-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.48
Rot. Bonds4

About 6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide

6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide (PubChem CID 115602109) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
PubChem CID115602109
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1
InChIInChI=1S/C13H11N3O2S2/c1-19-12-4-2-3-10(7-12)16-20(17,18)13-6-5-11(8-14)15-9-13/h2-7,9,16H,1H3
InChIKeyIHZPLKVAFDBSAM-UHFFFAOYSA-N
XLogP2.48
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 114613901
6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
CID 114614834
3-[(6-cyano-3-pyridinyl)sulfonylamino]benzoic acid
CID 115602113
2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide
CID 62163890
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143
5-[(3-methylsulfanylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114613978
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 115602183
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide (CID 115602109) is 6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide is CSc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1.
What is the InChIKey of 6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
The InChIKey is IHZPLKVAFDBSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-19-12-4-2-3-10(7-12)16-20(17,18)13-6-5-11(8-14)15-9-13/h2-7,9,16H,1H3.
What are the key properties of 6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide has a molecular weight of 305.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).