N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide

C11H19BrF3NO2S — CID 83058114

IUPACN-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCBr)C1CCCC1
InChIInChI=1S/C11H19BrF3NO2S/c12-7-8-16(10-4-1-2-5-10)19(17,18)9-3-6-11(13,14)15/h10H,1-9H2
InChIKeyXOYYKYPSRKHGMY-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.30
Rot. Bonds7

About N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide

N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058114) has the molecular formula C11H19BrF3NO2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058114
Molecular FormulaC11H19BrF3NO2S
Molecular Weight366.24 g/mol
Exact Mass365.03
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCBr)C1CCCC1
InChIInChI=1S/C11H19BrF3NO2S/c12-7-8-16(10-4-1-2-5-10)19(17,18)9-3-6-11(13,14)15/h10H,1-9H2
InChIKeyXOYYKYPSRKHGMY-UHFFFAOYSA-N
XLogP3.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromoethyl)-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-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83058114) is N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is XOYYKYPSRKHGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrF3NO2S/c12-7-8-16(10-4-1-2-5-10)19(17,18)9-3-6-11(13,14)15/h10H,1-9H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 366.24 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).