N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide

C10H22BrNO3S — CID 114298827

IUPACN-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC(CC)CCBr
InChIInChI=1S/C10H22BrNO3S/c1-3-10(5-6-11)9-12-16(13,14)8-7-15-4-2/h10,12H,3-9H2,1-2H3
InChIKeyBHYUJOUIQAIQLK-UHFFFAOYSA-N
MW316.26 g/mol
LogP1.75
Rot. Bonds10

About N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide

N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide (PubChem CID 114298827) has the molecular formula C10H22BrNO3S and a molecular weight of 316.26 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide
PubChem CID114298827
Molecular FormulaC10H22BrNO3S
Molecular Weight316.26 g/mol
Exact Mass315.05
IUPAC NameN-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC(CC)CCBr
InChIInChI=1S/C10H22BrNO3S/c1-3-10(5-6-11)9-12-16(13,14)8-7-15-4-2/h10,12H,3-9H2,1-2H3
InChIKeyBHYUJOUIQAIQLK-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 51.75
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'}

Analyze N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-bromoethyl)pentyl]-2-ethoxyethanesulfonamide
CID 106118395
N-(4-bromobutan-2-yl)-2-ethoxyethanesulfonamide
CID 83179051
N-(4-chloro-2-methylbutyl)-2-ethoxyethanesulfonamide
CID 66089953
2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide
CID 103834355
N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide
CID 64539581
N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
CID 115613306
N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
N-(2-ethylhexyl)dodecane-1-sulfonamide
CID 20789895
2-ethoxy-N-[2-(methylamino)ethyl]ethanesulfonamide;hydrochloride
CID 119973004
N-(4-bromo-2-ethylbutyl)azepane-1-sulfonamide
CID 114298844
N-(1-bromo-3-methylbutan-2-yl)-2-ethoxyethanesulfonamide
CID 114294798

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide (CID 114298827) is N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NCC(CC)CCBr.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide?
The InChIKey is BHYUJOUIQAIQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO3S/c1-3-10(5-6-11)9-12-16(13,14)8-7-15-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide?
N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide has a molecular weight of 316.26 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 114298827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).