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

C15H15NO4S — CID 14315681

IUPAC1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H15NO4S/c17-15(18)13-8-4-10-16(13)21(19,20)14-9-3-6-11-5-1-2-7-12(11)14/h1-3,5-7,9,13H,4,8,10H2,(H,17,18)
InChIKeyKMCTXIYLPLOFAA-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.08
Rot. Bonds3

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

1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid (PubChem CID 14315681) has the molecular formula C15H15NO4S and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
PubChem CID14315681
Molecular FormulaC15H15NO4S
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H15NO4S/c17-15(18)13-8-4-10-16(13)21(19,20)14-9-3-6-11-5-1-2-7-12(11)14/h1-3,5-7,9,13H,4,8,10H2,(H,17,18)
InChIKeyKMCTXIYLPLOFAA-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

(2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069629
1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 167910792
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 3854693
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2384447
(2S)-1-(2-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 54048299
(2R)-1-(1-benzothiophen-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 120968936
1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 123787937
(2S)-1-[2-(2-methylprop-1-enyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 166385554
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
CID 114533548
(2S)-1-(1-benzofuran-2-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 118989860
(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 992693

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid (CID 14315681) is 1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is KMCTXIYLPLOFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-15(18)13-8-4-10-16(13)21(19,20)14-9-3-6-11-5-1-2-7-12(11)14/h1-3,5-7,9,13H,4,8,10H2,(H,17,18).
What are the key properties of 1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid?
1-naphthalen-1-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-1-ylsulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 14315681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).