2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide

C13H12N4O3S — CID 106545345

IUPAC2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccnc2C#N)cn1
InChIInChI=1S/C13H12N4O3S/c1-20-13-5-4-10(8-16-13)9-17-21(18,19)12-3-2-6-15-11(12)7-14/h2-6,8,17H,9H2,1H3
InChIKeyTVJVUTWYILLGNB-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.84
Rot. Bonds5

About 2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide

2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 106545345) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID106545345
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccnc2C#N)cn1
InChIInChI=1S/C13H12N4O3S/c1-20-13-5-4-10(8-16-13)9-17-21(18,19)12-3-2-6-15-11(12)7-14/h2-6,8,17H,9H2,1H3
InChIKeyTVJVUTWYILLGNB-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide
CID 106546424
5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106268154
2-cyano-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
CID 106545740
2-cyano-N-(6-ethoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 106596186
2-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 62990585
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545620
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593181
4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 62990223
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide (CID 106545345) is 2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide is COc1ccc(CNS(=O)(=O)c2cccnc2C#N)cn1.
What is the InChIKey of 2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is TVJVUTWYILLGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-20-13-5-4-10(8-16-13)9-17-21(18,19)12-3-2-6-15-11(12)7-14/h2-6,8,17H,9H2,1H3.
What are the key properties of 2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide?
2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.84, 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-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106545345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).