6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide

C14H16N4O2S — CID 114613786

IUPAC6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2(C#N)CCCCCC2)cn1
InChIInChI=1S/C14H16N4O2S/c15-9-12-5-6-13(10-17-12)21(19,20)18-14(11-16)7-3-1-2-4-8-14/h5-6,10,18H,1-4,7-8H2
InChIKeyYFVPFPUAOSDFTF-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.85
Rot. Bonds3

About 6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide

6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide (PubChem CID 114613786) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide
PubChem CID114613786
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2(C#N)CCCCCC2)cn1
InChIInChI=1S/C14H16N4O2S/c15-9-12-5-6-13(10-17-12)21(19,20)18-14(11-16)7-3-1-2-4-8-14/h5-6,10,18H,1-4,7-8H2
InChIKeyYFVPFPUAOSDFTF-UHFFFAOYSA-N
XLogP1.85
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-[1-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 114614808
6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 115754039
6-cyano-N-[(1-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 115618854
N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84599411
6-cyano-N-cyclooctylpyridine-3-sulfonamide
CID 115602393
N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide
CID 61122968
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
6-cyano-N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 115602600
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
CID 61124967
6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide
CID 114613918
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide (CID 114613786) is 6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NC2(C#N)CCCCCC2)cn1.
What is the InChIKey of 6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide?
The InChIKey is YFVPFPUAOSDFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-9-12-5-6-13(10-17-12)21(19,20)18-14(11-16)7-3-1-2-4-8-14/h5-6,10,18H,1-4,7-8H2.
What are the key properties of 6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide?
6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).