N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide

C15H22BrNO2S — CID 80669300

IUPACN-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N(CCBr)C1CCCCC1
InChIInChI=1S/C15H22BrNO2S/c16-11-12-17(15-9-5-2-6-10-15)20(18,19)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeyUMTVQXAWMCZTPV-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.55
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide

N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide (PubChem CID 80669300) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide
PubChem CID80669300
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N(CCBr)C1CCCCC1
InChIInChI=1S/C15H22BrNO2S/c16-11-12-17(15-9-5-2-6-10-15)20(18,19)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeyUMTVQXAWMCZTPV-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.55
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-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide
CID 80687108
N-(3-aminopropyl)-N-cyclopentyl-1-phenylmethanesulfonamide
CID 43319471
N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511
N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide
CID 80668910
N-[[benzylsulfonyl(cyclopentyl)amino]disulfanyl]-N-cyclopentyl-1-phenylmethanesulfonamide
CID 21436541
1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61138289
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-1-phenylmethanesulfonamide
CID 90607497
N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873356
N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide
CID 102873538
N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
CID 102873556
3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide
CID 80669651

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide (CID 80669300) is N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide?
The InChIKey is UMTVQXAWMCZTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c16-11-12-17(15-9-5-2-6-10-15)20(18,19)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide?
N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide has a molecular weight of 360.32 g/mol, XLogP of 3.55, 6 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-phenylmethanesulfonamide is sourced from PubChem (CID 80669300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).