N-(2-bromocyclopentyl)benzenesulfonamide

C11H14BrNO2S — CID 18999501

IUPACN-(2-bromocyclopentyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)c1ccccc1
InChIInChI=1S/C11H14BrNO2S/c12-10-7-4-8-11(10)13-16(14,15)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2
InChIKeyNCKHPOQMJREHTM-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.28
Rot. Bonds3

About N-(2-bromocyclopentyl)benzenesulfonamide

N-(2-bromocyclopentyl)benzenesulfonamide (PubChem CID 18999501) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)benzenesulfonamide
PubChem CID18999501
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC NameN-(2-bromocyclopentyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)c1ccccc1
InChIInChI=1S/C11H14BrNO2S/c12-10-7-4-8-11(10)13-16(14,15)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2
InChIKeyNCKHPOQMJREHTM-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.28
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

N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide
CID 80661956
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
CID 80662442
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
CID 80662243
N-(2-bromocyclohexyl)-4-nitrobenzenesulfonamide
CID 106441050
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide
CID 80686401
N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
CID 114297364
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
[2-(benzenesulfonamido)cyclohexyl]-dimethylazanium
CID 4243978
N-(2-bromocyclohexyl)-3-nitrobenzenesulfonamide
CID 106441042
N-(2-hydroxyoxolan-3-yl)benzenesulfonamide
CID 141363362

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)benzenesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)benzenesulfonamide (CID 18999501) is N-(2-bromocyclopentyl)benzenesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)benzenesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)benzenesulfonamide is O=S(=O)(NC1CCCC1Br)c1ccccc1.
What is the InChIKey of N-(2-bromocyclopentyl)benzenesulfonamide?
The InChIKey is NCKHPOQMJREHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-10-7-4-8-11(10)13-16(14,15)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2.
What are the key properties of N-(2-bromocyclopentyl)benzenesulfonamide?
N-(2-bromocyclopentyl)benzenesulfonamide has a molecular weight of 304.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)benzenesulfonamide is sourced from PubChem (CID 18999501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).