2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid

C15H20N2O5S — CID 95710485

IUPAC2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid
SMILESO=C(O)c1ccccc1[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C15H20N2O5S/c18-15(19)14-4-2-1-3-13(14)12-5-6-17(11-12)23(20,21)16-7-9-22-10-8-16/h1-4,12H,5-11H2,(H,18,19)/t12-/m0/s1
InChIKeyQHFWSOHAQZFWGW-LBPRGKRZSA-N
MW340.40 g/mol
LogP0.75
Rot. Bonds4

About 2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid

2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid (PubChem CID 95710485) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid.

Molecular Properties

Compound Name2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid
PubChem CID95710485
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid
SMILESO=C(O)c1ccccc1[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C15H20N2O5S/c18-15(19)14-4-2-1-3-13(14)12-5-6-17(11-12)23(20,21)16-7-9-22-10-8-16/h1-4,12H,5-11H2,(H,18,19)/t12-/m0/s1
InChIKeyQHFWSOHAQZFWGW-LBPRGKRZSA-N
XLogP0.75
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid?
The IUPAC name of 2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid (CID 95710485) is 2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid.
What is the SMILES notation for 2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid?
The canonical SMILES for 2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid is O=C(O)c1ccccc1[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid?
The InChIKey is QHFWSOHAQZFWGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O5S/c18-15(19)14-4-2-1-3-13(14)12-5-6-17(11-12)23(20,21)16-7-9-22-10-8-16/h1-4,12H,5-11H2,(H,18,19)/t12-/m0/s1.
What are the key properties of 2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid?
2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid has a molecular weight of 340.40 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid is sourced from PubChem (CID 95710485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).