1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid

C14H19NO4S — CID 43237854

IUPAC1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCCCc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C14H19NO4S/c1-2-4-11-6-8-12(9-7-11)20(18,19)15-10-3-5-13(15)14(16)17/h6-9,13H,2-5,10H2,1H3,(H,16,17)
InChIKeyLYBQFBMQDBZATC-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.88
Rot. Bonds5

About 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid

1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 43237854) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID43237854
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCCCc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C14H19NO4S/c1-2-4-11-6-8-12(9-7-11)20(18,19)15-10-3-5-13(15)14(16)17/h6-9,13H,2-5,10H2,1H3,(H,16,17)
InChIKeyLYBQFBMQDBZATC-UHFFFAOYSA-N
XLogP1.88
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923299
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 3790655
2-[1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61370104
(2S)-1-[4-(acetamidomethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 119126258
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(2S)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 1457949
1-(4-butan-2-ylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237853
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
methyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 617150
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058609

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 43237854) is 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid is CCCc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is LYBQFBMQDBZATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-4-11-6-8-12(9-7-11)20(18,19)15-10-3-5-13(15)14(16)17/h6-9,13H,2-5,10H2,1H3,(H,16,17).
What are the key properties of 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid?
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43237854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).