N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide

C10H17F3N2O2S — CID 83059831

IUPACN-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c1-3-9(4-2,8-14)15-18(16,17)7-5-6-10(11,12)13/h15H,3-7H2,1-2H3
InChIKeyDNMFDEXFGHDGSE-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.33
Rot. Bonds7

About N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059831) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059831
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC NameN-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c1-3-9(4-2,8-14)15-18(16,17)7-5-6-10(11,12)13/h15H,3-7H2,1-2H3
InChIKeyDNMFDEXFGHDGSE-UHFFFAOYSA-N
XLogP2.33
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059831) is N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is CCC(C#N)(CC)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is DNMFDEXFGHDGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c1-3-9(4-2,8-14)15-18(16,17)7-5-6-10(11,12)13/h15H,3-7H2,1-2H3.
What are the key properties of N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 286.32 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).