N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide

C12H14ClN3O2S — CID 106441981

IUPACN-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCCCC2Cl)cn1
InChIInChI=1S/C12H14ClN3O2S/c13-11-3-1-2-4-12(11)16-19(17,18)10-6-5-9(7-14)15-8-10/h5-6,8,11-12,16H,1-4H2
InChIKeyUFUCUVUORAMRDW-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.78
Rot. Bonds3

About N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide

N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide (PubChem CID 106441981) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide
PubChem CID106441981
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCCCC2Cl)cn1
InChIInChI=1S/C12H14ClN3O2S/c13-11-3-1-2-4-12(11)16-19(17,18)10-6-5-9(7-14)15-8-10/h5-6,8,11-12,16H,1-4H2
InChIKeyUFUCUVUORAMRDW-UHFFFAOYSA-N
XLogP1.78
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide
CID 114613918
6-cyano-N-cyclooctylpyridine-3-sulfonamide
CID 115602393
6-cyano-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 114613875
6-cyano-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 103653105
6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 115602590
3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
CID 65030631
6-cyano-N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 115602600
6-cyano-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113320215
6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide
CID 103698000
cis-(1R,3S)-3-[(6-cyano-3-pyridinyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321509
6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
CID 115602177
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide (CID 106441981) is N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCCCC2Cl)cn1.
What is the InChIKey of N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide?
The InChIKey is UFUCUVUORAMRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c13-11-3-1-2-4-12(11)16-19(17,18)10-6-5-9(7-14)15-8-10/h5-6,8,11-12,16H,1-4H2.
What are the key properties of N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide?
N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106441981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).