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

C13H19ClN2O3S — CID 47149085

IUPACN-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCOc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C13H19ClN2O3S/c14-12-4-6-13(7-5-12)19-11-8-15-20(17,18)16-9-2-1-3-10-16/h4-7,15H,1-3,8-11H2
InChIKeyREEGOVMXGFJLGH-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.04
Rot. Bonds6

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

N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide (PubChem CID 47149085) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
PubChem CID47149085
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCOc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C13H19ClN2O3S/c14-12-4-6-13(7-5-12)19-11-8-15-20(17,18)16-9-2-1-3-10-16/h4-7,15H,1-3,8-11H2
InChIKeyREEGOVMXGFJLGH-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]piperidine-1-sulfonamide
CID 38114249
N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
CID 54915246
N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide
CID 43369622
2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 30502848
N-(2-naphthalen-1-yloxyethyl)azepane-1-sulfonamide
CID 71889809
N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide
CID 47148941
2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
CID 30171874
N-[2-(4-methoxyphenyl)ethyl]piperidine-1-sulfonamide
CID 47148921
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018330
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
1-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 55511669

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide (CID 47149085) is N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide is O=S(=O)(NCCOc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide?
The InChIKey is REEGOVMXGFJLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c14-12-4-6-13(7-5-12)19-11-8-15-20(17,18)16-9-2-1-3-10-16/h4-7,15H,1-3,8-11H2.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide?
N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide has a molecular weight of 318.83 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 47149085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).