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

C15H20N2O6S — CID 4961661

IUPAC2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C15H20N2O6S/c18-15(19)13-11-12(24(20,21)17-5-9-23-10-6-17)1-2-14(13)16-3-7-22-8-4-16/h1-2,11H,3-10H2,(H,18,19)
InChIKeyPDGGGTAUHVTAJJ-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.24
Rot. Bonds4

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

2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid (PubChem CID 4961661) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid
PubChem CID4961661
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C15H20N2O6S/c18-15(19)13-11-12(24(20,21)17-5-9-23-10-6-17)1-2-14(13)16-3-7-22-8-4-16/h1-2,11H,3-10H2,(H,18,19)
InChIKeyPDGGGTAUHVTAJJ-UHFFFAOYSA-N
XLogP0.24
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid?
The IUPAC name of 2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid (CID 4961661) is 2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid.
What is the SMILES notation for 2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid?
The canonical SMILES for 2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid is O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid?
The InChIKey is PDGGGTAUHVTAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c18-15(19)13-11-12(24(20,21)17-5-9-23-10-6-17)1-2-14(13)16-3-7-22-8-4-16/h1-2,11H,3-10H2,(H,18,19).
What are the key properties of 2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid?
2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid has a molecular weight of 356.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-morpholin-4-ylsulfonylbenzoic acid is sourced from PubChem (CID 4961661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).