4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid

C15H15NO5S — CID 3677107

IUPAC4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO5S/c17-12-8-14(15(18)19)16(9-12)22(20,21)13-6-5-10-3-1-2-4-11(10)7-13/h1-7,12,14,17H,8-9H2,(H,18,19)
InChIKeyIEMGTWXFCBVWDG-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.05
Rot. Bonds3

About 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid

4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid (PubChem CID 3677107) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid
PubChem CID3677107
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO5S/c17-12-8-14(15(18)19)16(9-12)22(20,21)13-6-5-10-3-1-2-4-11(10)7-13/h1-7,12,14,17H,8-9H2,(H,18,19)
InChIKeyIEMGTWXFCBVWDG-UHFFFAOYSA-N
XLogP1.05
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid (CID 3677107) is 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is IEMGTWXFCBVWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c17-12-8-14(15(18)19)16(9-12)22(20,21)13-6-5-10-3-1-2-4-11(10)7-13/h1-7,12,14,17H,8-9H2,(H,18,19).
What are the key properties of 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid?
4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 321.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3677107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).