N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide

C9H16BrF2NO2S — CID 80669304

IUPACN-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(C(F)F)N(CCBr)C1CCCCC1
InChIInChI=1S/C9H16BrF2NO2S/c10-6-7-13(16(14,15)9(11)12)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyURQBJLVLKFGMDQ-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.57
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide

N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide (PubChem CID 80669304) has the molecular formula C9H16BrF2NO2S and a molecular weight of 320.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
PubChem CID80669304
Molecular FormulaC9H16BrF2NO2S
Molecular Weight320.20 g/mol
Exact Mass319.01
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(C(F)F)N(CCBr)C1CCCCC1
InChIInChI=1S/C9H16BrF2NO2S/c10-6-7-13(16(14,15)9(11)12)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyURQBJLVLKFGMDQ-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide
CID 23227871
2-(2-Bromoethyl)-1-(trifluoromethylsulfonyl)piperidine
CID 57850043
N,N-dicyclohexyl-1,1-difluoromethanesulfonamide
CID 58435940
N-(2-bromoethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
CID 80669620
2-(2-Bromoethyl)-1-(difluoromethylsulfonyl)piperidine
CID 80671805
N-(2-bromoethyl)-1,1-difluoro-N-pentan-3-ylmethanesulfonamide
CID 80675258
2-(Bromomethyl)-1-(difluoromethylsulfonyl)piperidine
CID 80677064
N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058251
2-(Bromomethyl)-1-(4,4,4-trifluorobutylsulfonyl)piperidine
CID 83058400
N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 102638595
N-(2-bromoethyl)-N-cyclohexylmethanesulfonamide
CID 80668486
1-bromo-N,N-dicyclohexylmethanesulfonamide
CID 83083795

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide (CID 80669304) is N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide is O=S(=O)(C(F)F)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
The InChIKey is URQBJLVLKFGMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrF2NO2S/c10-6-7-13(16(14,15)9(11)12)8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide?
N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide has a molecular weight of 320.20 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 80669304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).