6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide

C12H17N3O3S — CID 115754118

IUPAC6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O3S/c1-3-12(16,4-2)9-15-19(17,18)11-6-5-10(7-13)14-8-11/h5-6,8,15-16H,3-4,9H2,1-2H3
InChIKeyNOWHRTXGLKGCAT-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.78
Rot. Bonds6

About 6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide

6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide (PubChem CID 115754118) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
PubChem CID115754118
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O3S/c1-3-12(16,4-2)9-15-19(17,18)11-6-5-10(7-13)14-8-11/h5-6,8,15-16H,3-4,9H2,1-2H3
InChIKeyNOWHRTXGLKGCAT-UHFFFAOYSA-N
XLogP0.78
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 114533438
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 113462897
6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
CID 115690391
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
CID 114612954
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide
CID 115752426
6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 126813970
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455
N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide
CID 65112960

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide (CID 115754118) is 6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide is CCC(O)(CC)CNS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
The InChIKey is NOWHRTXGLKGCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-12(16,4-2)9-15-19(17,18)11-6-5-10(7-13)14-8-11/h5-6,8,15-16H,3-4,9H2,1-2H3.
What are the key properties of 6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115754118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).