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

C10H22BrNO4S2 — CID 106118394

IUPACN-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H22BrNO4S2/c1-3-4-10(5-6-11)9-12-18(15,16)8-7-17(2,13)14/h10,12H,3-9H2,1-2H3
InChIKeyZVXYDIMTAVSZNC-UHFFFAOYSA-N
MW364.33 g/mol
LogP1.15
Rot. Bonds10

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

N-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide (PubChem CID 106118394) has the molecular formula C10H22BrNO4S2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide
PubChem CID106118394
Molecular FormulaC10H22BrNO4S2
Molecular Weight364.33 g/mol
Exact Mass363.02
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H22BrNO4S2/c1-3-4-10(5-6-11)9-12-18(15,16)8-7-17(2,13)14/h10,12H,3-9H2,1-2H3
InChIKeyZVXYDIMTAVSZNC-UHFFFAOYSA-N
XLogP1.15
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide (CID 106118394) is N-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide is CCCC(CCBr)CNS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide?
The InChIKey is ZVXYDIMTAVSZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO4S2/c1-3-4-10(5-6-11)9-12-18(15,16)8-7-17(2,13)14/h10,12H,3-9H2,1-2H3.
What are the key properties of N-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide?
N-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide has a molecular weight of 364.33 g/mol, XLogP of 1.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 106118394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).