2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide

C20H22Cl2N2O4S — CID 30502848

IUPAC2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCOc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C20H22Cl2N2O4S/c21-15-4-6-16(7-5-15)28-13-10-23-20(25)18-14-17(8-9-19(18)22)29(26,27)24-11-2-1-3-12-24/h4-9,14H,1-3,10-13H2,(H,23,25)
InChIKeyMSAUGUKTDFNWGY-UHFFFAOYSA-N
MW457.38 g/mol
LogP3.98
Rot. Bonds7

About 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 30502848) has the molecular formula C20H22Cl2N2O4S and a molecular weight of 457.38 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide
PubChem CID30502848
Molecular FormulaC20H22Cl2N2O4S
Molecular Weight457.38 g/mol
Exact Mass456.07
IUPAC Name2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCOc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C20H22Cl2N2O4S/c21-15-4-6-16(7-5-15)28-13-10-23-20(25)18-14-17(8-9-19(18)22)29(26,27)24-11-2-1-3-12-24/h4-9,14H,1-3,10-13H2,(H,23,25)
InChIKeyMSAUGUKTDFNWGY-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 53.98
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

5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
2-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26677034
2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26374148
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
CID 78795839
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 18127231
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55716591
5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 46387509

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide (CID 30502848) is 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide is O=C(NCCOc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is MSAUGUKTDFNWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4S/c21-15-4-6-16(7-5-15)28-13-10-23-20(25)18-14-17(8-9-19(18)22)29(26,27)24-11-2-1-3-12-24/h4-9,14H,1-3,10-13H2,(H,23,25).
What are the key properties of 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 457.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 30502848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).