N-(1-bromobutan-2-yl)butane-1-sulfonamide

C8H18BrNO2S — CID 114298429

IUPACN-(1-bromobutan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(CC)CBr
InChIInChI=1S/C8H18BrNO2S/c1-3-5-6-13(11,12)10-8(4-2)7-9/h8,10H,3-7H2,1-2H3
InChIKeyRVDKYJUEAAPUPJ-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.88
Rot. Bonds7

About N-(1-bromobutan-2-yl)butane-1-sulfonamide

N-(1-bromobutan-2-yl)butane-1-sulfonamide (PubChem CID 114298429) has the molecular formula C8H18BrNO2S and a molecular weight of 272.21 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)butane-1-sulfonamide
PubChem CID114298429
Molecular FormulaC8H18BrNO2S
Molecular Weight272.21 g/mol
Exact Mass271.02
IUPAC NameN-(1-bromobutan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(CC)CBr
InChIInChI=1S/C8H18BrNO2S/c1-3-5-6-13(11,12)10-8(4-2)7-9/h8,10H,3-7H2,1-2H3
InChIKeyRVDKYJUEAAPUPJ-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.88
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)ethanesulfonamide
CID 114298468
3-chloro-N-hexan-3-ylpropane-1-sulfonamide
CID 62093105
N-(1-chlorobutan-2-yl)propane-1-sulfonamide
CID 65033874
N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide
CID 65031040
3-hydroxy-N-octan-4-ylpropane-1-sulfonamide
CID 106022437
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
(2R)-2-(butylsulfonylamino)propanoate
CID 2447741
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
N-(1-cyclopropylbutan-2-yl)-3-(methylamino)propane-1-sulfonamide
CID 106063954
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
N-methoxybutane-1-sulfonamide
CID 64973999

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-bromobutan-2-yl)butane-1-sulfonamide (CID 114298429) is N-(1-bromobutan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-bromobutan-2-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC(CC)CBr.
What is the InChIKey of N-(1-bromobutan-2-yl)butane-1-sulfonamide?
The InChIKey is RVDKYJUEAAPUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2S/c1-3-5-6-13(11,12)10-8(4-2)7-9/h8,10H,3-7H2,1-2H3.
What are the key properties of N-(1-bromobutan-2-yl)butane-1-sulfonamide?
N-(1-bromobutan-2-yl)butane-1-sulfonamide has a molecular weight of 272.21 g/mol, XLogP of 1.88, 7 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)butane-1-sulfonamide is sourced from PubChem (CID 114298429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).