N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide

C11H22BrNO3S — CID 106304856

IUPACN-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCCOCCBr)C1CCCCC1
InChIInChI=1S/C11H22BrNO3S/c12-7-10-16-9-4-8-13-17(14,15)11-5-2-1-3-6-11/h11,13H,1-10H2
InChIKeyJSLFQBOHZZZEEX-UHFFFAOYSA-N
MW328.27 g/mol
LogP2.04
Rot. Bonds8

About N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide

N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide (PubChem CID 106304856) has the molecular formula C11H22BrNO3S and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide
PubChem CID106304856
Molecular FormulaC11H22BrNO3S
Molecular Weight328.27 g/mol
Exact Mass327.05
IUPAC NameN-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCCCOCCBr)C1CCCCC1
InChIInChI=1S/C11H22BrNO3S/c12-7-10-16-9-4-8-13-17(14,15)11-5-2-1-3-6-11/h11,13H,1-10H2
InChIKeyJSLFQBOHZZZEEX-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 52.04
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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Related Compounds

N-(6-bromohexyl)cyclohexanesulfonamide
CID 107848725
N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide
CID 63869838
N-(4-hydroxybutyl)cyclohexanesulfonamide
CID 106843941
N-(3-aminopropyl)cyclopentanesulfonamide
CID 115752131
N-(6-aminohexyl)cyclohexanesulfonamide
CID 114008140
N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide
CID 106304904
N-(4-aminobutyl)cyclopentanesulfonamide
CID 105360505
N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide
CID 105361362
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
CID 106307600
N-[2-(2-methoxyethylamino)ethyl]cyclohexanesulfonamide
CID 83039706
N-(3-bromobutyl)cyclohexanesulfonamide
CID 114297660
N-[3-(4-aminocyclohexyl)oxypropyl]cyclopropanesulfonamide
CID 64553496

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide (CID 106304856) is N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide is O=S(=O)(NCCCOCCBr)C1CCCCC1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide?
The InChIKey is JSLFQBOHZZZEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3S/c12-7-10-16-9-4-8-13-17(14,15)11-5-2-1-3-6-11/h11,13H,1-10H2.
What are the key properties of N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide?
N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide has a molecular weight of 328.27 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide is sourced from PubChem (CID 106304856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).