N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide

C11H13BrFNO2S — CID 80662243

IUPACN-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)c1ccccc1F
InChIInChI=1S/C11H13BrFNO2S/c12-8-4-3-6-10(8)14-17(15,16)11-7-2-1-5-9(11)13/h1-2,5,7-8,10,14H,3-4,6H2
InChIKeyGWIXXTBVUGKKMW-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.42
Rot. Bonds3

About N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide

N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide (PubChem CID 80662243) has the molecular formula C11H13BrFNO2S and a molecular weight of 322.20 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
PubChem CID80662243
Molecular FormulaC11H13BrFNO2S
Molecular Weight322.20 g/mol
Exact Mass320.98
IUPAC NameN-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)c1ccccc1F
InChIInChI=1S/C11H13BrFNO2S/c12-8-4-3-6-10(8)14-17(15,16)11-7-2-1-5-9(11)13/h1-2,5,7-8,10,14H,3-4,6H2
InChIKeyGWIXXTBVUGKKMW-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 52.42
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-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide
CID 62963627
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
N-(2-bromocyclohexyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 106441024
2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 60722057
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-(2-bromocyclopentyl)-3-fluoropyridine-2-sulfonamide
CID 103302197
2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978995
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542
N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide
CID 65033519
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide (CID 80662243) is N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide is O=S(=O)(NC1CCCC1Br)c1ccccc1F.
What is the InChIKey of N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide?
The InChIKey is GWIXXTBVUGKKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2S/c12-8-4-3-6-10(8)14-17(15,16)11-7-2-1-5-9(11)13/h1-2,5,7-8,10,14H,3-4,6H2.
What are the key properties of N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide?
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide has a molecular weight of 322.20 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 80662243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).