6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide

C11H15N3O3S — CID 115755442

IUPAC6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O3S/c1-2-14(6-3-7-15)18(16,17)11-5-4-10(8-12)13-9-11/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyIQESZWBWVYXMPL-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.35
Rot. Bonds6

About 6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide

6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide (PubChem CID 115755442) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
PubChem CID115755442
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O3S/c1-2-14(6-3-7-15)18(16,17)11-5-4-10(8-12)13-9-11/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyIQESZWBWVYXMPL-UHFFFAOYSA-N
XLogP0.35
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyano-1-methylpyridin-1-ium methanesulfonate
CID 112866
2-Methylpyridine-3-sulfonamide
CID 22409057
6-Methylpyridine-3-sulfonic acid
CID 271587
1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
CID 4296455
2-Methylpyridine-3-sulfonyl chloride
CID 19857572
6-Methylpyridine-3-sulfonyl chloride
CID 22398714
3-Methanesulfonylpyridine-2-carbonitrile
CID 23436943
6-Methylpyridine-3-sulfonamide
CID 45080575
6-Cyanopyridine-3-sulfonyl chloride
CID 47003190
6-Cyanopyridine-3-sulfonamide
CID 57625434
5-(Methylsulfonyl)pyridine-2-carbonitrile
CID 59169929
2-[[1-(Benzenesulfonyl)pyrrol-2-yl]methylidene]propanedinitrile
CID 44607967

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide (CID 115755442) is 6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide is CCN(CCCO)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide?
The InChIKey is IQESZWBWVYXMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-14(6-3-7-15)18(16,17)11-5-4-10(8-12)13-9-11/h4-5,9,15H,2-3,6-7H2,1H3.
What are the key properties of 6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide?
6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115755442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).