N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide

C9H16F3NO2S — CID 82903856

IUPACN-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)6-3-7-16(14,15)13-8-4-1-2-5-8/h8,13H,1-7H2
InChIKeyVRFPXOUIEXICNP-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.19
Rot. Bonds5

About N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide

N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 82903856) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID82903856
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC NameN-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)6-3-7-16(14,15)13-8-4-1-2-5-8/h8,13H,1-7H2
InChIKeyVRFPXOUIEXICNP-UHFFFAOYSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide (CID 82903856) is N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is VRFPXOUIEXICNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c10-9(11,12)6-3-7-16(14,15)13-8-4-1-2-5-8/h8,13H,1-7H2.
What are the key properties of N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 259.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 82903856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).