N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide

C15H22BrNO2S — CID 80687108

IUPACN-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)N(CCBr)C1CCCC1
InChIInChI=1S/C15H22BrNO2S/c16-11-12-17(15-8-4-5-9-15)20(18,19)13-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyYDHXUEHSSWFQPJ-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.20
Rot. Bonds7

About N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide

N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide (PubChem CID 80687108) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide
PubChem CID80687108
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)N(CCBr)C1CCCC1
InChIInChI=1S/C15H22BrNO2S/c16-11-12-17(15-8-4-5-9-15)20(18,19)13-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyYDHXUEHSSWFQPJ-UHFFFAOYSA-N
XLogP3.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide (CID 80687108) is N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide?
The InChIKey is YDHXUEHSSWFQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c16-11-12-17(15-8-4-5-9-15)20(18,19)13-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide?
N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide has a molecular weight of 360.32 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide is sourced from PubChem (CID 80687108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).