2-cyano-N-pent-4-ynylpyridine-3-sulfonamide

C11H11N3O2S — CID 106546358

IUPAC2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
SMILESC#CCCCNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H11N3O2S/c1-2-3-4-8-14-17(15,16)11-6-5-7-13-10(11)9-12/h1,5-7,14H,3-4,8H2
InChIKeyGJHVEXMASBKGOU-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.64
Rot. Bonds5

About 2-cyano-N-pent-4-ynylpyridine-3-sulfonamide

2-cyano-N-pent-4-ynylpyridine-3-sulfonamide (PubChem CID 106546358) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-cyano-N-pent-4-ynylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
PubChem CID106546358
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
SMILESC#CCCCNS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H11N3O2S/c1-2-3-4-8-14-17(15,16)11-6-5-7-13-10(11)9-12/h1,5-7,14H,3-4,8H2
InChIKeyGJHVEXMASBKGOU-UHFFFAOYSA-N
XLogP0.64
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
CID 114248056
methyl 6-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 106545225
2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 106545089
2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106545557
N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593181
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033
3-[(2-cyano-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 106596234
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 106546512
2-bromo-N-pent-4-ynylbenzenesulfonamide
CID 103698102
N-(2-but-3-enoxyethyl)-2-cyanopyridine-3-sulfonamide
CID 106546607

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-pent-4-ynylpyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-pent-4-ynylpyridine-3-sulfonamide (CID 106546358) is 2-cyano-N-pent-4-ynylpyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-pent-4-ynylpyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-pent-4-ynylpyridine-3-sulfonamide is C#CCCCNS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-pent-4-ynylpyridine-3-sulfonamide?
The InChIKey is GJHVEXMASBKGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-3-4-8-14-17(15,16)11-6-5-7-13-10(11)9-12/h1,5-7,14H,3-4,8H2.
What are the key properties of 2-cyano-N-pent-4-ynylpyridine-3-sulfonamide?
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide has a molecular weight of 249.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-pent-4-ynylpyridine-3-sulfonamide is sourced from PubChem (CID 106546358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).