4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide

C12H15Br2NO2S — CID 106367478

IUPAC4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)c1ccc(Br)cc1
InChIInChI=1S/C12H15Br2NO2S/c13-8-9-2-1-3-12(9)15-18(16,17)11-6-4-10(14)5-7-11/h4-7,9,12,15H,1-3,8H2
InChIKeyNGBYYWMGZAFYCO-UHFFFAOYSA-N
MW397.13 g/mol
LogP3.29
Rot. Bonds4

About 4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide

4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide (PubChem CID 106367478) has the molecular formula C12H15Br2NO2S and a molecular weight of 397.13 g/mol. Its IUPAC name is 4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
PubChem CID106367478
Molecular FormulaC12H15Br2NO2S
Molecular Weight397.13 g/mol
Exact Mass394.92
IUPAC Name4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1CBr)c1ccc(Br)cc1
InChIInChI=1S/C12H15Br2NO2S/c13-8-9-2-1-3-12(9)15-18(16,17)11-6-4-10(14)5-7-11/h4-7,9,12,15H,1-3,8H2
InChIKeyNGBYYWMGZAFYCO-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide
CID 106367483
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
N-[2-(bromomethyl)cyclohexyl]-3,5-dichlorobenzenesulfonamide
CID 106367660
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106367494
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide
CID 106367511
3-bromo-N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179808
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide (CID 106367478) is 4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide is O=S(=O)(NC1CCCC1CBr)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is NGBYYWMGZAFYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2S/c13-8-9-2-1-3-12(9)15-18(16,17)11-6-4-10(14)5-7-11/h4-7,9,12,15H,1-3,8H2.
What are the key properties of 4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide?
4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 397.13 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 106367478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).