N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide

C8H18BrNO3S — CID 106245719

IUPACN-(3-bromo-4-methoxybutyl)propane-2-sulfonamide
SMILESCOCC(Br)CCNS(=O)(=O)C(C)C
InChIInChI=1S/C8H18BrNO3S/c1-7(2)14(11,12)10-5-4-8(9)6-13-3/h7-8,10H,4-6H2,1-3H3
InChIKeyFGLZNFPFGYABNQ-UHFFFAOYSA-N
MW288.21 g/mol
LogP1.11
Rot. Bonds7

About N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide

N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide (PubChem CID 106245719) has the molecular formula C8H18BrNO3S and a molecular weight of 288.21 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)propane-2-sulfonamide
PubChem CID106245719
Molecular FormulaC8H18BrNO3S
Molecular Weight288.21 g/mol
Exact Mass287.02
IUPAC NameN-(3-bromo-4-methoxybutyl)propane-2-sulfonamide
SMILESCOCC(Br)CCNS(=O)(=O)C(C)C
InChIInChI=1S/C8H18BrNO3S/c1-7(2)14(11,12)10-5-4-8(9)6-13-3/h7-8,10H,4-6H2,1-3H3
InChIKeyFGLZNFPFGYABNQ-UHFFFAOYSA-N
XLogP1.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methoxybutyl)-2,2-dimethylpropane-1-sulfonamide
CID 106245673
N-(3-bromo-4-methoxybutyl)-3-methylbutane-1-sulfonamide
CID 106245684
N-(3-bromo-4-methoxybutyl)pyrrolidine-1-sulfonamide
CID 106245632
N-[2-(2-methoxyethylamino)ethyl]propane-2-sulfonamide
CID 83039103
2-bromo-N-(3-bromo-4-methoxybutyl)benzenesulfonamide
CID 106245635
2-bromo-1-methoxy-6-methylsulfonylhexane
CID 63195962
N-(3-bromo-4-methoxybutyl)-3,4-difluorobenzenesulfonamide
CID 114163474
N-(2-bromo-3-methoxypropyl)methanesulfonamide
CID 114296203
N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106245580
N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide
CID 90523463
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-2-sulfonamide
CID 146542197
N-(3-bromo-4-methoxybutyl)-2-propan-2-yloxyacetamide
CID 106244897

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide (CID 106245719) is N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide is COCC(Br)CCNS(=O)(=O)C(C)C.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide?
The InChIKey is FGLZNFPFGYABNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO3S/c1-7(2)14(11,12)10-5-4-8(9)6-13-3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide?
N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide has a molecular weight of 288.21 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)propane-2-sulfonamide is sourced from PubChem (CID 106245719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).