N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

C10H20F3NO2S — CID 64586485

IUPACN-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C10H20F3NO2S/c1-5-9(6-2)14(7-10(11,12)13)17(15,16)8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyVCLGFNPUPIEPIQ-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.78
Rot. Bonds6

About N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (PubChem CID 64586485) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
PubChem CID64586485
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C10H20F3NO2S/c1-5-9(6-2)14(7-10(11,12)13)17(15,16)8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyVCLGFNPUPIEPIQ-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (CID 64586485) is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is CCC(CC)N(CC(F)(F)F)S(=O)(=O)C(C)C.
What is the InChIKey of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The InChIKey is VCLGFNPUPIEPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-5-9(6-2)14(7-10(11,12)13)17(15,16)8(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide has a molecular weight of 275.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is sourced from PubChem (CID 64586485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).