4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide

C15H23BrN2O2S — CID 65480044

IUPAC4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc(CBr)cc1)C1CCCC1
InChIInChI=1S/C15H23BrN2O2S/c1-18(14-4-2-3-5-14)11-10-17-21(19,20)15-8-6-13(12-16)7-9-15/h6-9,14,17H,2-5,10-12H2,1H3
InChIKeyIDHJBPIDOCHHGL-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.73
Rot. Bonds7

About 4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide

4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide (PubChem CID 65480044) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
PubChem CID65480044
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc(CBr)cc1)C1CCCC1
InChIInChI=1S/C15H23BrN2O2S/c1-18(14-4-2-3-5-14)11-10-17-21(19,20)15-8-6-13(12-16)7-9-15/h6-9,14,17H,2-5,10-12H2,1H3
InChIKeyIDHJBPIDOCHHGL-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
CID 62980477
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 62979062
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 113065868
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 63318006
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide
CID 81245872
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide
CID 88616743
N-[2-[cyclopentyl(methyl)amino]ethyl]ethanesulfonamide
CID 63373682
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056759

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide (CID 65480044) is 4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide is CN(CCNS(=O)(=O)c1ccc(CBr)cc1)C1CCCC1.
What is the InChIKey of 4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide?
The InChIKey is IDHJBPIDOCHHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-18(14-4-2-3-5-14)11-10-17-21(19,20)15-8-6-13(12-16)7-9-15/h6-9,14,17H,2-5,10-12H2,1H3.
What are the key properties of 4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide?
4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 65480044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).