N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide

C15H23BrN2O2S — CID 80668910

IUPACN-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)N(CCBr)C1CCCCC1
InChIInChI=1S/C15H23BrN2O2S/c16-9-12-18(15-4-2-1-3-5-15)21(19,20)13-8-14-6-10-17-11-7-14/h6-7,10-11,15H,1-5,8-9,12-13H2
InChIKeyGJARZRKCCJHIRR-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.98
Rot. Bonds7

About N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide

N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide (PubChem CID 80668910) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide
PubChem CID80668910
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)N(CCBr)C1CCCCC1
InChIInChI=1S/C15H23BrN2O2S/c16-9-12-18(15-4-2-1-3-5-15)21(19,20)13-8-14-6-10-17-11-7-14/h6-7,10-11,15H,1-5,8-9,12-13H2
InChIKeyGJARZRKCCJHIRR-UHFFFAOYSA-N
XLogP2.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide
CID 102873306
N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide
CID 80687108
3-[cyclopropyl(2-pyridin-4-ylethylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 76911647
N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide
CID 60891329
N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide
CID 80669300
N-ethyl-N-piperidin-4-yl-2-pyridin-4-ylethanesulfonamide
CID 60890944
N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
CID 102873556
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide
CID 102873568
3-[cyclopropyl(2-phenylethylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 80690874
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide
CID 103308267
N-(2-bromocyclohexyl)-2-pyridin-4-ylethanesulfonamide
CID 114297396

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide (CID 80668910) is N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide is O=S(=O)(CCc1ccncc1)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide?
The InChIKey is GJARZRKCCJHIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c16-9-12-18(15-4-2-1-3-5-15)21(19,20)13-8-14-6-10-17-11-7-14/h6-7,10-11,15H,1-5,8-9,12-13H2.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide?
N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 80668910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).