N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide

C12H18N4O2S — CID 61122968

IUPACN-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2cn[nH]c2)CCCCCCC1
InChIInChI=1S/C12H18N4O2S/c13-10-12(6-4-2-1-3-5-7-12)16-19(17,18)11-8-14-15-9-11/h8-9,16H,1-7H2,(H,14,15)
InChIKeyVSHYQQOAWXVKMU-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.69
Rot. Bonds3

About N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide

N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61122968) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide
PubChem CID61122968
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2cn[nH]c2)CCCCCCC1
InChIInChI=1S/C12H18N4O2S/c13-10-12(6-4-2-1-3-5-7-12)16-19(17,18)11-8-14-15-9-11/h8-9,16H,1-7H2,(H,14,15)
InChIKeyVSHYQQOAWXVKMU-UHFFFAOYSA-N
XLogP1.69
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide
CID 47377357
N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 114293726
1-(1H-pyrazol-4-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123573
6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide
CID 114613786
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
CID 61124967
N-(1-cyanocyclooctyl)-1-methylimidazole-4-sulfonamide
CID 62375456
N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide
CID 75508306
N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063500
N-(1-cyanocycloheptyl)thiophene-2-sulfonamide
CID 61123105
2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
CID 60660817
1-cyano-1-(sulfamoylamino)cyclooctane
CID 114959123
N-(1-cyanocyclohexyl)cyclopropanesulfonamide
CID 64552206

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide (CID 61122968) is N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide is N#CC1(NS(=O)(=O)c2cn[nH]c2)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VSHYQQOAWXVKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c13-10-12(6-4-2-1-3-5-7-12)16-19(17,18)11-8-14-15-9-11/h8-9,16H,1-7H2,(H,14,15).
What are the key properties of N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide?
N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61122968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).