1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid

C15H22N2O6S2 — CID 3215957

IUPAC1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H22N2O6S2/c1-3-16(4-2)24(20,21)12-7-9-13(10-8-12)25(22,23)17-11-5-6-14(17)15(18)19/h7-10,14H,3-6,11H2,1-2H3,(H,18,19)
InChIKeyPIHSVCAAZRLWFX-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.95
Rot. Bonds7

About 1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid

1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 3215957) has the molecular formula C15H22N2O6S2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
PubChem CID3215957
Molecular FormulaC15H22N2O6S2
Molecular Weight390.48 g/mol
Exact Mass390.09
IUPAC Name1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H22N2O6S2/c1-3-16(4-2)24(20,21)12-7-9-13(10-8-12)25(22,23)17-11-5-6-14(17)15(18)19/h7-10,14H,3-6,11H2,1-2H3,(H,18,19)
InChIKeyPIHSVCAAZRLWFX-UHFFFAOYSA-N
XLogP0.95
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 615038
1-[(4-Bromophenyl)sulfonyl]proline
CID 2765073
Tosyl-D-Proline
CID 445504
(2S)-1-(Benzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 720844
1-(Phenylsulfonyl)proline
CID 2837293
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid
CID 563461
1-(4-Chlorobenzene-1-sulfonyl)proline
CID 2765064
trans-1-Benzenesulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester
CID 18445902
1-(Benzenesulfonyl)piperidine-2-carboxylic acid
CID 2769957
(2S)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 691957
1-[3-(2-Carboxypyrrolidin-1-yl)sulfonylphenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 24761725
Methyl 1-(phenylsulfonyl)prolinate
CID 610805

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid (CID 3215957) is 1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is PIHSVCAAZRLWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S2/c1-3-16(4-2)24(20,21)12-7-9-13(10-8-12)25(22,23)17-11-5-6-14(17)15(18)19/h7-10,14H,3-6,11H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 390.48 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3215957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).