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

C22H26BrN3O4S — CID 4173596

IUPAC2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccccc1Br
InChIInChI=1S/C22H26BrN3O4S/c23-19-7-3-2-6-18(19)22(27)24-20-16-17(31(28,29)26-12-14-30-15-13-26)8-9-21(20)25-10-4-1-5-11-25/h2-3,6-9,16H,1,4-5,10-15H2,(H,24,27)
InChIKeyKGRXVWRQUBAOBH-UHFFFAOYSA-N
MW508.44 g/mol
LogP3.71
Rot. Bonds5

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

2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide (PubChem CID 4173596) has the molecular formula C22H26BrN3O4S and a molecular weight of 508.44 g/mol. Its IUPAC name is 2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
PubChem CID4173596
Molecular FormulaC22H26BrN3O4S
Molecular Weight508.44 g/mol
Exact Mass507.08
IUPAC Name2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccccc1Br
InChIInChI=1S/C22H26BrN3O4S/c23-19-7-3-2-6-18(19)22(27)24-20-16-17(31(28,29)26-12-14-30-15-13-26)8-9-21(20)25-10-4-1-5-11-25/h2-3,6-9,16H,1,4-5,10-15H2,(H,24,27)
InChIKeyKGRXVWRQUBAOBH-UHFFFAOYSA-N
XLogP3.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide (CID 4173596) is 2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
The InChIKey is KGRXVWRQUBAOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O4S/c23-19-7-3-2-6-18(19)22(27)24-20-16-17(31(28,29)26-12-14-30-15-13-26)8-9-21(20)25-10-4-1-5-11-25/h2-3,6-9,16H,1,4-5,10-15H2,(H,24,27).
What are the key properties of 2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide?
2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide has a molecular weight of 508.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 4173596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).