4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide

C22H26ClN3O4S — CID 4072010

IUPAC4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O4S/c23-18-6-4-17(5-7-18)22(27)24-20-16-19(31(28,29)26-12-14-30-15-13-26)8-9-21(20)25-10-2-1-3-11-25/h4-9,16H,1-3,10-15H2,(H,24,27)
InChIKeyAMGFMYARLFKWJK-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.60
Rot. Bonds5

About 4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide

4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide (PubChem CID 4072010) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
PubChem CID4072010
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O4S/c23-18-6-4-17(5-7-18)22(27)24-20-16-19(31(28,29)26-12-14-30-15-13-26)8-9-21(20)25-10-2-1-3-11-25/h4-9,16H,1-3,10-15H2,(H,24,27)
InChIKeyAMGFMYARLFKWJK-UHFFFAOYSA-N
XLogP3.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide (CID 4072010) is 4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
The InChIKey is AMGFMYARLFKWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c23-18-6-4-17(5-7-18)22(27)24-20-16-19(31(28,29)26-12-14-30-15-13-26)8-9-21(20)25-10-2-1-3-11-25/h4-9,16H,1-3,10-15H2,(H,24,27).
What are the key properties of 4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide has a molecular weight of 463.99 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 4072010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).