N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide

C12H13FN2O2S — CID 62963627

IUPACN-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H13FN2O2S/c13-10-5-1-2-7-12(10)18(16,17)15-11-6-3-4-9(11)8-14/h1-2,5,7,9,11,15H,3-4,6H2
InChIKeyMQPOIKRWNSLHEW-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.80
Rot. Bonds3

About N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide

N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide (PubChem CID 62963627) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide
PubChem CID62963627
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC NameN-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H13FN2O2S/c13-10-5-1-2-7-12(10)18(16,17)15-11-6-3-4-9(11)8-14/h1-2,5,7,9,11,15H,3-4,6H2
InChIKeyMQPOIKRWNSLHEW-UHFFFAOYSA-N
XLogP1.80
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide (CID 62963627) is N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide is N#CC1CCCC1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide?
The InChIKey is MQPOIKRWNSLHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c13-10-5-1-2-7-12(10)18(16,17)15-11-6-3-4-9(11)8-14/h1-2,5,7,9,11,15H,3-4,6H2.
What are the key properties of N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide?
N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide has a molecular weight of 268.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 62963627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).