N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide

C11H19BrF3NO2S — CID 83058817

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1(CBr)CCCC1
InChIInChI=1S/C11H19BrF3NO2S/c12-8-10(4-1-2-5-10)9-16-19(17,18)7-3-6-11(13,14)15/h16H,1-9H2
InChIKeyXWVVYPBFIVNDED-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.20
Rot. Bonds7

About N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058817) has the molecular formula C11H19BrF3NO2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058817
Molecular FormulaC11H19BrF3NO2S
Molecular Weight366.24 g/mol
Exact Mass365.03
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1(CBr)CCCC1
InChIInChI=1S/C11H19BrF3NO2S/c12-8-10(4-1-2-5-10)9-16-19(17,18)7-3-6-11(13,14)15/h16H,1-9H2
InChIKeyXWVVYPBFIVNDED-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(bromomethyl)cyclopentyl]methyl]-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-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83058817) is N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is XWVVYPBFIVNDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrF3NO2S/c12-8-10(4-1-2-5-10)9-16-19(17,18)7-3-6-11(13,14)15/h16H,1-9H2.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 366.24 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).