1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C15H20N2O5S — CID 127239959

IUPAC1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C15H20N2O5S/c1-15(2,3)16-23(21,22)12-6-4-11(5-7-12)17-9-10(14(19)20)8-13(17)18/h4-7,10,16H,8-9H2,1-3H3,(H,19,20)
InChIKeyNDGGVNFDLVXYJO-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.20
Rot. Bonds4

About 1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 127239959) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID127239959
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C15H20N2O5S/c1-15(2,3)16-23(21,22)12-6-4-11(5-7-12)17-9-10(14(19)20)8-13(17)18/h4-7,10,16H,8-9H2,1-3H3,(H,19,20)
InChIKeyNDGGVNFDLVXYJO-UHFFFAOYSA-N
XLogP1.20
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

CID 60582
CID 60582
CID 2770164
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CID 19656
CID 19656
CID 5144111
CID 5144111
CID 17080567
CID 17080567
CID 50873964
CID 50873964
CID 155514238
CID 155514238
CID 155553815
CID 155553815
CID 697595
CID 697595
CID 3151640
CID 3151640
CID 6497355
CID 6497355
CID 788623
CID 788623

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 127239959) is 1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is CC(C)(C)NS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NDGGVNFDLVXYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-15(2,3)16-23(21,22)12-6-4-11(5-7-12)17-9-10(14(19)20)8-13(17)18/h4-7,10,16H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 127239959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).