4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide

C25H37N5O4S — CID 123731908

IUPAC4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(NNc2c(C)c(C#N)c(O)n(CCCC)c2=O)cc1
InChIInChI=1S/C25H37N5O4S/c1-5-8-10-19(7-3)17-27-35(33,34)21-13-11-20(12-14-21)28-29-23-18(4)22(16-26)24(31)30(25(23)32)15-9-6-2/h11-14,19,27-29,31H,5-10,15,17H2,1-4H3
InChIKeyBRYBSOQMMBZJEJ-UHFFFAOYSA-N
MW503.67 g/mol
LogP4.47
Rot. Bonds14

About 4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide

4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide (PubChem CID 123731908) has the molecular formula C25H37N5O4S and a molecular weight of 503.67 g/mol. Its IUPAC name is 4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide
PubChem CID123731908
Molecular FormulaC25H37N5O4S
Molecular Weight503.67 g/mol
Exact Mass503.26
IUPAC Name4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(NNc2c(C)c(C#N)c(O)n(CCCC)c2=O)cc1
InChIInChI=1S/C25H37N5O4S/c1-5-8-10-19(7-3)17-27-35(33,34)21-13-11-20(12-14-21)28-29-23-18(4)22(16-26)24(31)30(25(23)32)15-9-6-2/h11-14,19,27-29,31H,5-10,15,17H2,1-4H3
InChIKeyBRYBSOQMMBZJEJ-UHFFFAOYSA-N
XLogP4.47
TPSA136.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.67
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide?
The IUPAC name of 4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide (CID 123731908) is 4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide?
The canonical SMILES for 4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1ccc(NNc2c(C)c(C#N)c(O)n(CCCC)c2=O)cc1.
What is the InChIKey of 4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide?
The InChIKey is BRYBSOQMMBZJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O4S/c1-5-8-10-19(7-3)17-27-35(33,34)21-13-11-20(12-14-21)28-29-23-18(4)22(16-26)24(31)30(25(23)32)15-9-6-2/h11-14,19,27-29,31H,5-10,15,17H2,1-4H3.
What are the key properties of 4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide?
4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide has a molecular weight of 503.67 g/mol, XLogP of 4.47, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)hydrazinyl]-N-(2-ethylhexyl)benzenesulfonamide is sourced from PubChem (CID 123731908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).