6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide

C13H17N3O3S — CID 114613918

IUPAC6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCCCCC2O)cn1
InChIInChI=1S/C13H17N3O3S/c14-8-10-6-7-11(9-15-10)20(18,19)16-12-4-2-1-3-5-13(12)17/h6-7,9,12-13,16-17H,1-5H2
InChIKeyUPAVNAWXUSDPMV-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.93
Rot. Bonds3

About 6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide

6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide (PubChem CID 114613918) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide
PubChem CID114613918
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCCCCC2O)cn1
InChIInChI=1S/C13H17N3O3S/c14-8-10-6-7-11(9-15-10)20(18,19)16-12-4-2-1-3-5-13(12)17/h6-7,9,12-13,16-17H,1-5H2
InChIKeyUPAVNAWXUSDPMV-UHFFFAOYSA-N
XLogP0.93
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Cyano-n-{3-methoxyspiro[3.3]heptan-1-yl}-n-methylpyridine-3-sulfonamide
CID 136546441
N-((1R,2R)-2-(hydroxymethyl)cyclohexyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59497782
N-[2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 72308123
N-(2-cyclopentyl-2-hydroxyethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453653
N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476540
N-(2,6-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476564
N-[(2S,3R)-2-hydroxy-3-methylpentyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 97349780
N-[(2S,3S)-2-hydroxy-3-methylpentyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 97349781
N-[(2R,3R)-2-hydroxy-3-methylpentyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 97349782
N-[(2R,3S)-2-hydroxy-3-methylpentyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 97349783
N-[(2R)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 97349784
N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 97349785

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide (CID 114613918) is 6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCCCCC2O)cn1.
What is the InChIKey of 6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide?
The InChIKey is UPAVNAWXUSDPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-8-10-6-7-11(9-15-10)20(18,19)16-12-4-2-1-3-5-13(12)17/h6-7,9,12-13,16-17H,1-5H2.
What are the key properties of 6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide?
6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).