N-[4-(piperazin-1-yl)phenyl]methanesulfonamide

HCID 14739895

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)Nc1ccc(N2CCNCC2)cc1
InChIKey: MYQTZORVIIUJAF-UHFFFAOYSA-N
Molecular formula: C11H17N3O2S
Average molar mass: 255.34 g/mol
Monoisotopic mass: 255.10414797

Names & identifiers

Preferred name: N-[4-(piperazin-1-yl)phenyl]methanesulfonamide
IUPAC: N-(4-piperazin-1-ylphenyl)methanesulfonamide

Names & synonyms

N-[4-(piperazin-1-yl)phenyl]methanesulfonamide125818-94-2N-(4-piperazin-1-ylphenyl)methanesulfonamideSCHEMBL5851742SCHEMBL7460280CHEMBL4515702AKOS009618195DA-13396CS-0225328EN300-123446Z439692798

Database identifiers

PubChem CID: 14739895
ChEMBL: CHEMBL4515702

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 69.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 325

Related reactions

3 records

New reaction record

HRID 296915As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1207389As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2138506As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…