N-(2-bromocyclopentyl)propane-1-sulfonamide

C8H16BrNO2S — CID 80661645

IUPACN-(2-bromocyclopentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C8H16BrNO2S/c1-2-6-13(11,12)10-8-5-3-4-7(8)9/h7-8,10H,2-6H2,1H3
InChIKeyWAKWHRVPIITZEX-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.63
Rot. Bonds4

About N-(2-bromocyclopentyl)propane-1-sulfonamide

N-(2-bromocyclopentyl)propane-1-sulfonamide (PubChem CID 80661645) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)propane-1-sulfonamide
PubChem CID80661645
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC NameN-(2-bromocyclopentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C8H16BrNO2S/c1-2-6-13(11,12)10-8-5-3-4-7(8)9/h7-8,10H,2-6H2,1H3
InChIKeyWAKWHRVPIITZEX-UHFFFAOYSA-N
XLogP1.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.63
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-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide
CID 114297347
N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide
CID 76978990
N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 80662740
N-(2-bromocyclohexyl)-2-pyridin-4-ylethanesulfonamide
CID 114297396
N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide
CID 80686401
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980
2-amino-N-(2-methylcyclopentyl)ethanesulfonamide
CID 63281586
N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide
CID 106064340
N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 106441038
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)propane-1-sulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)propane-1-sulfonamide (CID 80661645) is N-(2-bromocyclopentyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)propane-1-sulfonamide?
The InChIKey is WAKWHRVPIITZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-2-6-13(11,12)10-8-5-3-4-7(8)9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-(2-bromocyclopentyl)propane-1-sulfonamide?
N-(2-bromocyclopentyl)propane-1-sulfonamide has a molecular weight of 270.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)propane-1-sulfonamide is sourced from PubChem (CID 80661645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).