N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide

C13H24BrNO2S — CID 114297347

IUPACN-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NC1CCCCC1Br
InChIInChI=1S/C13H24BrNO2S/c14-12-8-4-5-9-13(12)15-18(16,17)10-11-6-2-1-3-7-11/h11-13,15H,1-10H2
InChIKeyBFAATHIIRMQVSB-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.19
Rot. Bonds4

About N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide

N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide (PubChem CID 114297347) has the molecular formula C13H24BrNO2S and a molecular weight of 338.31 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide
PubChem CID114297347
Molecular FormulaC13H24BrNO2S
Molecular Weight338.31 g/mol
Exact Mass337.07
IUPAC NameN-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NC1CCCCC1Br
InChIInChI=1S/C13H24BrNO2S/c14-12-8-4-5-9-13(12)15-18(16,17)10-11-6-2-1-3-7-11/h11-13,15H,1-10H2
InChIKeyBFAATHIIRMQVSB-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.19
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-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369
N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 62955693
1-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697794
N-(2-bromocyclopentyl)propane-1-sulfonamide
CID 80661645
1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]methanesulfonamide
CID 104953228
N-(2-bromocyclohexyl)-2-pyridin-4-ylethanesulfonamide
CID 114297396
N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide
CID 106441026
5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide
CID 113395171
N-(2-bromocyclohexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 106441038
1-bromo-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 114297366
N-(2-bromocyclopentyl)-2-cycloheptylacetamide
CID 114458260
N-(2-bromocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 114297372

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide (CID 114297347) is N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide is O=S(=O)(CC1CCCCC1)NC1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is BFAATHIIRMQVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2S/c14-12-8-4-5-9-13(12)15-18(16,17)10-11-6-2-1-3-7-11/h11-13,15H,1-10H2.
What are the key properties of N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide?
N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 338.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 114297347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).