N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide

C11H24BrNO3S — CID 106118361

IUPACN-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)CCCOC
InChIInChI=1S/C11H24BrNO3S/c1-3-5-11(6-7-12)10-13-17(14,15)9-4-8-16-2/h11,13H,3-10H2,1-2H3
InChIKeyNMRWQMJSWZYRSL-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.14
Rot. Bonds11

About N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide

N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide (PubChem CID 106118361) has the molecular formula C11H24BrNO3S and a molecular weight of 330.29 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide
PubChem CID106118361
Molecular FormulaC11H24BrNO3S
Molecular Weight330.29 g/mol
Exact Mass329.07
IUPAC NameN-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide
SMILESCCCC(CCBr)CNS(=O)(=O)CCCOC
InChIInChI=1S/C11H24BrNO3S/c1-3-5-11(6-7-12)10-13-17(14,15)9-4-8-16-2/h11,13H,3-10H2,1-2H3
InChIKeyNMRWQMJSWZYRSL-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide (CID 106118361) is N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide is CCCC(CCBr)CNS(=O)(=O)CCCOC.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is NMRWQMJSWZYRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO3S/c1-3-5-11(6-7-12)10-13-17(14,15)9-4-8-16-2/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide?
N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 330.29 g/mol, XLogP of 2.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 106118361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).