N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide

C8H18BrNO2S — CID 83178279

IUPACN-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC(C)CCBr
InChIInChI=1S/C8H18BrNO2S/c1-7(2)6-13(11,12)10-8(3)4-5-9/h7-8,10H,4-6H2,1-3H3
InChIKeyUJNFBTWILYRZDO-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.74
Rot. Bonds6

About N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide

N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide (PubChem CID 83178279) has the molecular formula C8H18BrNO2S and a molecular weight of 272.21 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide
PubChem CID83178279
Molecular FormulaC8H18BrNO2S
Molecular Weight272.21 g/mol
Exact Mass271.02
IUPAC NameN-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC(C)CCBr
InChIInChI=1S/C8H18BrNO2S/c1-7(2)6-13(11,12)10-8(3)4-5-9/h7-8,10H,4-6H2,1-3H3
InChIKeyUJNFBTWILYRZDO-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide (CID 83178279) is N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NC(C)CCBr.
What is the InChIKey of N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide?
The InChIKey is UJNFBTWILYRZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2S/c1-7(2)6-13(11,12)10-8(3)4-5-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide?
N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide has a molecular weight of 272.21 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 83178279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).