1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid

C15H20N2O6S — CID 119355684

IUPAC1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O6S/c1-23-10-8-16-24(21,22)12-6-4-11(5-7-12)14(18)17-9-2-3-13(17)15(19)20/h4-7,13,16H,2-3,8-10H2,1H3,(H,19,20)
InChIKeySNOIFPMGHRWLFA-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.30
Rot. Bonds7

About 1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid

1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355684) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID119355684
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O6S/c1-23-10-8-16-24(21,22)12-6-4-11(5-7-12)14(18)17-9-2-3-13(17)15(19)20/h4-7,13,16H,2-3,8-10H2,1H3,(H,19,20)
InChIKeySNOIFPMGHRWLFA-UHFFFAOYSA-N
XLogP0.30
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[4-(2-methoxyethylsulfonyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119364967
4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216832
1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355685
(2S)-1-[4-(butan-2-ylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 45339369
(2S)-1-[4-(tert-butylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119364995
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119379182
1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50830840
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56512190
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 34840068
1-[4-(2-methoxyethylsulfamoyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119091
(2S)-1-[4-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoyl]pyrrolidine-2-carboxylic acid
CID 119365340
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid (CID 119355684) is 1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid is COCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SNOIFPMGHRWLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-23-10-8-16-24(21,22)12-6-4-11(5-7-12)14(18)17-9-2-3-13(17)15(19)20/h4-7,13,16H,2-3,8-10H2,1H3,(H,19,20).
What are the key properties of 1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 356.40 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).