N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide

C12H14BrCl2NO2S — CID 106367511

IUPACN-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14BrCl2NO2S/c13-7-8-2-1-3-11(8)16-19(17,18)12-6-9(14)4-5-10(12)15/h4-6,8,11,16H,1-3,7H2
InChIKeyTWFSMIYWZBQFPP-UHFFFAOYSA-N
MW387.13 g/mol
LogP3.84
Rot. Bonds4

About N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide

N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 106367511) has the molecular formula C12H14BrCl2NO2S and a molecular weight of 387.13 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide
PubChem CID106367511
Molecular FormulaC12H14BrCl2NO2S
Molecular Weight387.13 g/mol
Exact Mass384.93
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14BrCl2NO2S/c13-7-8-2-1-3-11(8)16-19(17,18)12-6-9(14)4-5-10(12)15/h4-6,8,11,16H,1-3,7H2
InChIKeyTWFSMIYWZBQFPP-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.13
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide 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-(bromomethyl)cyclohexyl]-3,5-dichlorobenzenesulfonamide
CID 106367660
2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103815165
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 114297585
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 124690418
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,5-dichlorobenzenesulfonamide
CID 6980060
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide
CID 119986168
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 106367478

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide (CID 106367511) is N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide is O=S(=O)(NC1CCCC1CBr)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is TWFSMIYWZBQFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO2S/c13-7-8-2-1-3-11(8)16-19(17,18)12-6-9(14)4-5-10(12)15/h4-6,8,11,16H,1-3,7H2.
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide?
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 387.13 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 106367511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).