2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide

C12H15BrClNO2S — CID 65030927

IUPAC2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CCl)CCCC1)c1ccccc1Br
InChIInChI=1S/C12H15BrClNO2S/c13-10-5-1-2-6-11(10)18(16,17)15-12(9-14)7-3-4-8-12/h1-2,5-6,15H,3-4,7-9H2
InChIKeyCFBHRKGXKVULNL-UHFFFAOYSA-N
MW352.68 g/mol
LogP3.28
Rot. Bonds4

About 2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide

2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide (PubChem CID 65030927) has the molecular formula C12H15BrClNO2S and a molecular weight of 352.68 g/mol. Its IUPAC name is 2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide
PubChem CID65030927
Molecular FormulaC12H15BrClNO2S
Molecular Weight352.68 g/mol
Exact Mass350.97
IUPAC Name2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CCl)CCCC1)c1ccccc1Br
InChIInChI=1S/C12H15BrClNO2S/c13-10-5-1-2-6-11(10)18(16,17)15-12(9-14)7-3-4-8-12/h1-2,5-6,15H,3-4,7-9H2
InChIKeyCFBHRKGXKVULNL-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.68
LogP ≤ 53.28
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

2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 65032608
2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide
CID 60660791
N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120710218
1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 71246784
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide
CID 120710186
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62522204
N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 114297176
2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903054
N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide
CID 28971038
N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 65031136
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide
CID 115271965

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide (CID 65030927) is 2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide is O=S(=O)(NC1(CCl)CCCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is CFBHRKGXKVULNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2S/c13-10-5-1-2-6-11(10)18(16,17)15-12(9-14)7-3-4-8-12/h1-2,5-6,15H,3-4,7-9H2.
What are the key properties of 2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide?
2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 352.68 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 65030927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).