4-morpholin-4-ylsulfonylbenzoic acid

C11H13NO5S — CID 559416

IUPAC4-morpholin-4-ylsulfonylbenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C11H13NO5S/c13-11(14)9-1-3-10(4-2-9)18(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2,(H,13,14)
InChIKeyIGXVSENNUSQCOL-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.41
Rot. Bonds3

About 4-morpholin-4-ylsulfonylbenzoic acid

4-morpholin-4-ylsulfonylbenzoic acid (PubChem CID 559416) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonylbenzoic acid
PubChem CID559416
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name4-morpholin-4-ylsulfonylbenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C11H13NO5S/c13-11(14)9-1-3-10(4-2-9)18(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2,(H,13,14)
InChIKeyIGXVSENNUSQCOL-UHFFFAOYSA-N
XLogP0.41
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonylbenzoic acid?
The IUPAC name of 4-morpholin-4-ylsulfonylbenzoic acid (CID 559416) is 4-morpholin-4-ylsulfonylbenzoic acid.
What is the SMILES notation for 4-morpholin-4-ylsulfonylbenzoic acid?
The canonical SMILES for 4-morpholin-4-ylsulfonylbenzoic acid is O=C(O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonylbenzoic acid?
The InChIKey is IGXVSENNUSQCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c13-11(14)9-1-3-10(4-2-9)18(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2,(H,13,14).
What are the key properties of 4-morpholin-4-ylsulfonylbenzoic acid?
4-morpholin-4-ylsulfonylbenzoic acid has a molecular weight of 271.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonylbenzoic acid is sourced from PubChem (CID 559416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).