2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid

C11H13NO5S — CID 62941328

IUPAC2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H13NO5S/c13-8-5-6-12(7-8)18(16,17)10-4-2-1-3-9(10)11(14)15/h1-4,8,13H,5-7H2,(H,14,15)
InChIKeyJJXUZPFWSJKJPS-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.14
Rot. Bonds3

About 2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid

2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid (PubChem CID 62941328) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
PubChem CID62941328
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H13NO5S/c13-8-5-6-12(7-8)18(16,17)10-4-2-1-3-9(10)11(14)15/h1-4,8,13H,5-7H2,(H,14,15)
InChIKeyJJXUZPFWSJKJPS-UHFFFAOYSA-N
XLogP0.14
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic 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

3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylpyridine-4-carboxylic acid
CID 114271235
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
3-(3-hydroxypiperidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 63743648
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)benzoic acid
CID 60952156
2-(azetidin-1-ylsulfonyl)benzoic acid
CID 43440231
2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 106835669
2,4-dichloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 62943175
2-hydroxy-5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methylbenzoic acid
CID 62943562
2-hydroxy-5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-4-methylbenzoic acid
CID 107215006
2-[3-(4-carboxyphenyl)piperidin-1-yl]sulfonylbenzoic acid
CID 72878133
1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 62941378

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid (CID 62941328) is 2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid is O=C(O)c1ccccc1S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid?
The InChIKey is JJXUZPFWSJKJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c13-8-5-6-12(7-8)18(16,17)10-4-2-1-3-9(10)11(14)15/h1-4,8,13H,5-7H2,(H,14,15).
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid?
2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid has a molecular weight of 271.29 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid is sourced from PubChem (CID 62941328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).