N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H15F3N2O2S — CID 83059252

IUPACN-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)CCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9(8-14)4-1-2-5-9/h15H,1-7H2
InChIKeyKVASHDSUTZHKSC-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.08
Rot. Bonds5

About N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059252) has the molecular formula C10H15F3N2O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059252
Molecular FormulaC10H15F3N2O2S
Molecular Weight284.30 g/mol
Exact Mass284.08
IUPAC NameN-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)CCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9(8-14)4-1-2-5-9/h15H,1-7H2
InChIKeyKVASHDSUTZHKSC-UHFFFAOYSA-N
XLogP2.08
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059252) is N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide is N#CC1(NS(=O)(=O)CCCC(F)(F)F)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is KVASHDSUTZHKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9(8-14)4-1-2-5-9/h15H,1-7H2.
What are the key properties of N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 284.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).