2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide

C13H12N4O3S — CID 106596186

IUPAC2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccnc2C#N)cn1
InChIInChI=1S/C13H12N4O3S/c1-2-20-13-6-5-10(9-16-13)17-21(18,19)12-4-3-7-15-11(12)8-14/h3-7,9,17H,2H2,1H3
InChIKeyCNRTUFUUYFHSGP-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.55
Rot. Bonds5

About 2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide

2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide (PubChem CID 106596186) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide
PubChem CID106596186
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccnc2C#N)cn1
InChIInChI=1S/C13H12N4O3S/c1-2-20-13-6-5-10(9-16-13)17-21(18,19)12-4-3-7-15-11(12)8-14/h3-7,9,17H,2H2,1H3
InChIKeyCNRTUFUUYFHSGP-UHFFFAOYSA-N
XLogP1.55
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-3-pyridinyl)-2-cyanopyridine-3-sulfonamide
CID 106598402
3-amino-N-(6-ethoxy-3-pyridinyl)pyridine-2-sulfonamide
CID 103306573
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545345
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
N-(4-amino-3-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593210
N-(6-methoxy-3-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62150607
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
CID 106595571
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 106596256
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide (CID 106596186) is 2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cccnc2C#N)cn1.
What is the InChIKey of 2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide?
The InChIKey is CNRTUFUUYFHSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-2-20-13-6-5-10(9-16-13)17-21(18,19)12-4-3-7-15-11(12)8-14/h3-7,9,17H,2H2,1H3.
What are the key properties of 2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide?
2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106596186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).