N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide

C11H22BrNO2S — CID 83178676

IUPACN-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide
SMILESCC(CCBr)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H22BrNO2S/c1-10(7-8-12)13-16(14,15)9-11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3
InChIKeyLDFOSPUXTIQZRS-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.66
Rot. Bonds6

About N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide

N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide (PubChem CID 83178676) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide
PubChem CID83178676
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide
SMILESCC(CCBr)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H22BrNO2S/c1-10(7-8-12)13-16(14,15)9-11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3
InChIKeyLDFOSPUXTIQZRS-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide (CID 83178676) is N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide is CC(CCBr)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide?
The InChIKey is LDFOSPUXTIQZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-10(7-8-12)13-16(14,15)9-11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3.
What are the key properties of N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide?
N-(4-bromobutan-2-yl)-1-cyclohexylmethanesulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.66, 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)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 83178676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).