N-(1-bromobutan-2-yl)ethanesulfonamide

C6H14BrNO2S — CID 114298468

IUPACN-(1-bromobutan-2-yl)ethanesulfonamide
SMILESCCC(CBr)NS(=O)(=O)CC
InChIInChI=1S/C6H14BrNO2S/c1-3-6(5-7)8-11(9,10)4-2/h6,8H,3-5H2,1-2H3
InChIKeyUHIFDRONEXCEPW-UHFFFAOYSA-N
MW244.15 g/mol
LogP1.10
Rot. Bonds5

About N-(1-bromobutan-2-yl)ethanesulfonamide

N-(1-bromobutan-2-yl)ethanesulfonamide (PubChem CID 114298468) has the molecular formula C6H14BrNO2S and a molecular weight of 244.15 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)ethanesulfonamide
PubChem CID114298468
Molecular FormulaC6H14BrNO2S
Molecular Weight244.15 g/mol
Exact Mass242.99
IUPAC NameN-(1-bromobutan-2-yl)ethanesulfonamide
SMILESCCC(CBr)NS(=O)(=O)CC
InChIInChI=1S/C6H14BrNO2S/c1-3-6(5-7)8-11(9,10)4-2/h6,8H,3-5H2,1-2H3
InChIKeyUHIFDRONEXCEPW-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromobutan-2-yl)butane-1-sulfonamide
CID 114298429
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
N-(1-bromobutan-2-yl)cyclohexanesulfonamide
CID 114298361
N-butan-2-ylethanesulfonamide
CID 5091177
N-(1-bromobutan-2-yl)oxane-4-sulfonamide
CID 114298444
N-(1-methoxypentan-2-yl)ethanesulfonamide
CID 64585946
N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide
CID 114298402
N-(1-chlorobutan-2-yl)propane-1-sulfonamide
CID 65033874
N-(1-bromo-4-methylpentan-2-yl)-2-methylsulfonylethanesulfonamide
CID 114297331
3-chloro-N-hexan-3-ylpropane-1-sulfonamide
CID 62093105
N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416070
N-(1-bromobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 114298374

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)ethanesulfonamide?
The IUPAC name of N-(1-bromobutan-2-yl)ethanesulfonamide (CID 114298468) is N-(1-bromobutan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(1-bromobutan-2-yl)ethanesulfonamide is CCC(CBr)NS(=O)(=O)CC.
What is the InChIKey of N-(1-bromobutan-2-yl)ethanesulfonamide?
The InChIKey is UHIFDRONEXCEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO2S/c1-3-6(5-7)8-11(9,10)4-2/h6,8H,3-5H2,1-2H3.
What are the key properties of N-(1-bromobutan-2-yl)ethanesulfonamide?
N-(1-bromobutan-2-yl)ethanesulfonamide has a molecular weight of 244.15 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 114298468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).