N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide

C13H15BrF3NO2S — CID 114293669

IUPACN-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1Br)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15BrF3NO2S/c14-11-6-3-4-9(11)8-18-21(19,20)12-7-2-1-5-10(12)13(15,16)17/h1-2,5,7,9,11,18H,3-4,6,8H2
InChIKeyQXWSVYDERXBCKE-UHFFFAOYSA-N
MW386.23 g/mol
LogP3.55
Rot. Bonds4

About N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide

N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 114293669) has the molecular formula C13H15BrF3NO2S and a molecular weight of 386.23 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID114293669
Molecular FormulaC13H15BrF3NO2S
Molecular Weight386.23 g/mol
Exact Mass385.00
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1Br)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15BrF3NO2S/c14-11-6-3-4-9(11)8-18-21(19,20)12-7-2-1-5-10(12)13(15,16)17/h1-2,5,7,9,11,18H,3-4,6,8H2
InChIKeyQXWSVYDERXBCKE-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718
N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-2-(trifluoromethyl)benzenesulfonamide
CID 97079898
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
2-[2-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-ol
CID 106585400
2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol
CID 106585385
N-(2-cyclopropyl-2-hydroxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 63298637
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 114297585
N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 113271784
2,5-dibromo-N-[(2-bromocyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 114297544
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[[2-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 89483571
N-(3-bromobutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271815

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 114293669) is N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CCCC1Br)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QXWSVYDERXBCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO2S/c14-11-6-3-4-9(11)8-18-21(19,20)12-7-2-1-5-10(12)13(15,16)17/h1-2,5,7,9,11,18H,3-4,6,8H2.
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 386.23 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 114293669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).