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

C9H20BrNO2S — CID 106118410

IUPACN-[2-(2-bromoethyl)pentyl]ethanesulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)CC
InChIInChI=1S/C9H20BrNO2S/c1-3-5-9(6-7-10)8-11-14(12,13)4-2/h9,11H,3-8H2,1-2H3
InChIKeyODGUBCKTKDZLFX-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.13
Rot. Bonds8

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

N-[2-(2-bromoethyl)pentyl]ethanesulfonamide (PubChem CID 106118410) has the molecular formula C9H20BrNO2S and a molecular weight of 286.24 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]ethanesulfonamide
PubChem CID106118410
Molecular FormulaC9H20BrNO2S
Molecular Weight286.24 g/mol
Exact Mass285.04
IUPAC NameN-[2-(2-bromoethyl)pentyl]ethanesulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)CC
InChIInChI=1S/C9H20BrNO2S/c1-3-5-9(6-7-10)8-11-14(12,13)4-2/h9,11H,3-8H2,1-2H3
InChIKeyODGUBCKTKDZLFX-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]ethanesulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]ethanesulfonamide (CID 106118410) is N-[2-(2-bromoethyl)pentyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]ethanesulfonamide is CCCC(CCBr)CNS(=O)(=O)CC.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]ethanesulfonamide?
The InChIKey is ODGUBCKTKDZLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO2S/c1-3-5-9(6-7-10)8-11-14(12,13)4-2/h9,11H,3-8H2,1-2H3.
What are the key properties of N-[2-(2-bromoethyl)pentyl]ethanesulfonamide?
N-[2-(2-bromoethyl)pentyl]ethanesulfonamide has a molecular weight of 286.24 g/mol, XLogP of 2.13, 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]ethanesulfonamide is sourced from PubChem (CID 106118410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).