6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide

C13H17N3O3S — CID 115754039

IUPAC6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC2(O)CCCCC2)cn1
InChIInChI=1S/C13H17N3O3S/c14-8-11-4-5-12(9-15-11)20(18,19)16-10-13(17)6-2-1-3-7-13/h4-5,9,16-17H,1-3,6-7,10H2
InChIKeyKUITUJCGHHXKAN-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.93
Rot. Bonds4

About 6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide

6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (PubChem CID 115754039) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
PubChem CID115754039
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC2(O)CCCCC2)cn1
InChIInChI=1S/C13H17N3O3S/c14-8-11-4-5-12(9-15-11)20(18,19)16-10-13(17)6-2-1-3-7-13/h4-5,9,16-17H,1-3,6-7,10H2
InChIKeyKUITUJCGHHXKAN-UHFFFAOYSA-N
XLogP0.93
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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-(2-cyanophenyl)pyridine-3-sulfonamide
CID 84596602
N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide
CID 56765288
3-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 5158507
5-cyano-6-methyl-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 121554312
3-[(4-Methoxy-4-methylpiperidin-1-yl)sulfonyl]pyridine-2-carbonitrile
CID 132373025
3-cyano-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 58540711
N-((1R,2R)-2-(hydroxymethyl)cyclohexyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59497782
N-[2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 72308123
3-cyano-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 63239080
3-cyano-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 63239527
2-cyano-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 64124272
2-cyano-3-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 64125703

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide (CID 115754039) is 6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NCC2(O)CCCCC2)cn1.
What is the InChIKey of 6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
The InChIKey is KUITUJCGHHXKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-8-11-4-5-12(9-15-11)20(18,19)16-10-13(17)6-2-1-3-7-13/h4-5,9,16-17H,1-3,6-7,10H2.
What are the key properties of 6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide?
6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 115754039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).