1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C15H20N2O5S — CID 171665825

IUPAC1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCC(C)NS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C15H20N2O5S/c1-3-10(2)16-23(21,22)13-6-4-12(5-7-13)17-9-11(15(19)20)8-14(17)18/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyCWIPSJSIAIGCIA-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.20
Rot. Bonds6

About 1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 171665825) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID171665825
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCC(C)NS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C15H20N2O5S/c1-3-10(2)16-23(21,22)13-6-4-12(5-7-13)17-9-11(15(19)20)8-14(17)18/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyCWIPSJSIAIGCIA-UHFFFAOYSA-N
XLogP1.20
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 171665825) is 1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is CCC(C)NS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is CWIPSJSIAIGCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-3-10(2)16-23(21,22)13-6-4-12(5-7-13)17-9-11(15(19)20)8-14(17)18/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butan-2-ylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 171665825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).