5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide

C21H25ClN2O4S — CID 30125608

IUPAC5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-28-20-10-7-17(22)15-19(20)21(25)23-12-11-16-5-8-18(9-6-16)29(26,27)24-13-3-2-4-14-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyNQFJKHQRGFJQAO-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.50
Rot. Bonds7

About 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide (PubChem CID 30125608) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
PubChem CID30125608
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-28-20-10-7-17(22)15-19(20)21(25)23-12-11-16-5-8-18(9-6-16)29(26,27)24-13-3-2-4-14-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)
InChIKeyNQFJKHQRGFJQAO-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide (CID 30125608) is 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide?
The InChIKey is NQFJKHQRGFJQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-28-20-10-7-17(22)15-19(20)21(25)23-12-11-16-5-8-18(9-6-16)29(26,27)24-13-3-2-4-14-24/h5-10,15H,2-4,11-14H2,1H3,(H,23,25).
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide has a molecular weight of 436.96 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 30125608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).