N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide

C13H18Cl2N2O2S — CID 47148941

IUPACN-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H18Cl2N2O2S/c14-12-5-4-11(13(15)10-12)6-7-16-20(18,19)17-8-2-1-3-9-17/h4-5,10,16H,1-3,6-9H2
InChIKeyAFMPCIKCLVXSOT-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide

N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide (PubChem CID 47148941) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide
PubChem CID47148941
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H18Cl2N2O2S/c14-12-5-4-11(13(15)10-12)6-7-16-20(18,19)17-8-2-1-3-9-17/h4-5,10,16H,1-3,6-9H2
InChIKeyAFMPCIKCLVXSOT-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
CID 47149085
N-(2-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 110245780
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072
5-chloro-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 113098447
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide
CID 26948560
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807626
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide
CID 81264913
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
N-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-sulfonamide
CID 127505076
(2,4-dichlorophenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 4544563
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide (CID 47148941) is N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide is O=S(=O)(NCCc1ccc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide?
The InChIKey is AFMPCIKCLVXSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c14-12-5-4-11(13(15)10-12)6-7-16-20(18,19)17-8-2-1-3-9-17/h4-5,10,16H,1-3,6-9H2.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide?
N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide has a molecular weight of 337.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 47148941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).