2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid

C16H22N2O5S — CID 2433199

IUPAC2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C16H22N2O5S/c19-16(20)14-12-13(24(21,22)18-6-2-1-3-7-18)4-5-15(14)17-8-10-23-11-9-17/h4-5,12H,1-3,6-11H2,(H,19,20)
InChIKeyJJVKRATVEXYRKZ-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.40
Rot. Bonds4

About 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid

2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid (PubChem CID 2433199) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid
PubChem CID2433199
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C16H22N2O5S/c19-16(20)14-12-13(24(21,22)18-6-2-1-3-7-18)4-5-15(14)17-8-10-23-11-9-17/h4-5,12H,1-3,6-11H2,(H,19,20)
InChIKeyJJVKRATVEXYRKZ-UHFFFAOYSA-N
XLogP1.40
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid?
The IUPAC name of 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid (CID 2433199) is 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid.
What is the SMILES notation for 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid?
The canonical SMILES for 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid is O=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid?
The InChIKey is JJVKRATVEXYRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c19-16(20)14-12-13(24(21,22)18-6-2-1-3-7-18)4-5-15(14)17-8-10-23-11-9-17/h4-5,12H,1-3,6-11H2,(H,19,20).
What are the key properties of 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid?
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid has a molecular weight of 354.43 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoic acid is sourced from PubChem (CID 2433199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).