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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]benzoic acid
CID 95715201
2-(oxolan-3-yl)benzoic acid
CID 83830028
N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)benzamide
CID 46514703
2-(1-hydroxypiperidin-4-yl)benzoic acid
CID 19784857
3-[[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]methyl]benzoic acid
CID 95710589
3-[(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methyl]benzoic acid
CID 56886483
2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid
CID 56891124
(1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 166253691
2-(dioxolan-4-yl)benzoic acid
CID 87618299
(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide
CID 18727150
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine
CID 110270790
(2R,6R)-2-methyl-4-morpholin-4-ylsulfonyl-6-phenylmorpholine
CID 98786694

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).