N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide

C12H24BrNO2S — CID 106118374

IUPACN-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H24BrNO2S/c1-2-5-11(8-9-13)10-14-17(15,16)12-6-3-4-7-12/h11-12,14H,2-10H2,1H3
InChIKeyUTAYSNYVMDESIW-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.05
Rot. Bonds8

About N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide

N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide (PubChem CID 106118374) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide
PubChem CID106118374
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H24BrNO2S/c1-2-5-11(8-9-13)10-14-17(15,16)12-6-3-4-7-12/h11-12,14H,2-10H2,1H3
InChIKeyUTAYSNYVMDESIW-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.05
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]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058945
N-[(2-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060154
N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106367493
N-[2-(2-bromoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114145887
N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114148184
N-(3-cyclopentylpropyl)propane-2-sulfonamide
CID 53768138
N-(2-cyclopentylethyl)propane-2-sulfonamide
CID 53851877
N-(cyclopentylmethyl)propane-2-sulfonamide
CID 61357018
N-(2-cyclopentylethyl)propane-1-sulfonamide
CID 61383726
1-cyclopentyl-N-ethylmethanesulfonamide;molecular hydrogen
CID 156869161
2-amino-N-(cyclopentylmethyl)ethanesulfonamide
CID 43371138
N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide
CID 56549530

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide (CID 106118374) is N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide is CCCC(CCBr)CNS(=O)(=O)C1CCCC1.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide?
The InChIKey is UTAYSNYVMDESIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-2-5-11(8-9-13)10-14-17(15,16)12-6-3-4-7-12/h11-12,14H,2-10H2,1H3.
What are the key properties of N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide?
N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide has a molecular weight of 326.30 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide is sourced from PubChem (CID 106118374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).