1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid

C15H15NO4S — CID 649141

IUPAC1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO4S/c17-15(18)14-6-3-9-16(14)21(19,20)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,17,18)
InChIKeyGVNYVKRDASNULU-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.08
Rot. Bonds3

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

1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid (PubChem CID 649141) has the molecular formula C15H15NO4S and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid
PubChem CID649141
Molecular FormulaC15H15NO4S
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO4S/c17-15(18)14-6-3-9-16(14)21(19,20)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,17,18)
InChIKeyGVNYVKRDASNULU-UHFFFAOYSA-N
XLogP2.08
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tosyl-D-Proline
CID 445504
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid
CID 563461
(R)-1-(Naphthalene-2-sulfonyl)-piperidine-3-carboxylic acid
CID 7063083
Methyl 1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylate
CID 650864
1-Naphthalen-2-ylsulfonylpyrrolidine-3-carboxylic acid
CID 21747812
1-((3-(Trifluoromethyl)phenyl)sulfonyl)pyrrolidine-2-carboxylic acid
CID 2777712
(2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 691957
1-(Indane-5-sulfonyl)-pyrrolidine-2-carboxylic acid
CID 647028
(S)-1-(Naphthalene-2-sulfonyl)-piperidine-3-carboxylic acid
CID 7063081
4-Hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid
CID 3677107
Methyl 4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 4963841
1-(Naphthalene-2-sulfonyl)piperidine-3-carboxylic acid
CID 3153634

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid (CID 649141) is 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is GVNYVKRDASNULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-15(18)14-6-3-9-16(14)21(19,20)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,17,18).
What are the key properties of 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid?
1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 649141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).