N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide

C10H18F3NO2S — CID 84600262

IUPACN-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-2-7-17(15,16)14-9(10(11,12)13)8-5-3-4-6-8/h8-9,14H,2-7H2,1H3
InChIKeyIQJCFZIPWPCPEM-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.44
Rot. Bonds5

About N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide

N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 84600262) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID84600262
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC NameN-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-2-7-17(15,16)14-9(10(11,12)13)8-5-3-4-6-8/h8-9,14H,2-7H2,1H3
InChIKeyIQJCFZIPWPCPEM-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 84600262) is N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide is CCCS(=O)(=O)NC(C1CCCC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is IQJCFZIPWPCPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-2-7-17(15,16)14-9(10(11,12)13)8-5-3-4-6-8/h8-9,14H,2-7H2,1H3.
What are the key properties of N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide?
N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 84600262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).