N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide

C20H23ClN2O4S — CID 55716591

IUPACN-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCOc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23ClN2O4S/c21-17-7-5-8-18(15-17)27-13-10-22-20(24)16-6-4-9-19(14-16)28(25,26)23-11-2-1-3-12-23/h4-9,14-15H,1-3,10-13H2,(H,22,24)
InChIKeyZNRKLEPAKIOSAU-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.32
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide

N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55716591) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55716591
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCOc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23ClN2O4S/c21-17-7-5-8-18(15-17)27-13-10-22-20(24)16-6-4-9-19(14-16)28(25,26)23-11-2-1-3-12-23/h4-9,14-15H,1-3,10-13H2,(H,22,24)
InChIKeyZNRKLEPAKIOSAU-UHFFFAOYSA-N
XLogP3.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43009482
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
4-chloro-N-[2-(3-methylphenoxy)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17488166
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 30502848
2-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26677034
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 119508393
3-[(2-chlorophenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 30859194
N-[2-(4-chlorophenoxy)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43027985
N-[2-(3-chlorophenoxy)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55724631

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide (CID 55716591) is N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide is O=C(NCCOc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZNRKLEPAKIOSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c21-17-7-5-8-18(15-17)27-13-10-22-20(24)16-6-4-9-19(14-16)28(25,26)23-11-2-1-3-12-23/h4-9,14-15H,1-3,10-13H2,(H,22,24).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 422.93 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55716591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).