1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C16H22N2O6S — CID 2944887

IUPAC1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(O)CC2C(=O)O)c1
InChIInChI=1S/C16H22N2O6S/c1-3-17(4-2)25(23,24)13-7-5-6-11(8-13)15(20)18-10-12(19)9-14(18)16(21)22/h5-8,12,14,19H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeyFDPWBZONXWFONB-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.38
Rot. Bonds6

About 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 2944887) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID2944887
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(O)CC2C(=O)O)c1
InChIInChI=1S/C16H22N2O6S/c1-3-17(4-2)25(23,24)13-7-5-6-11(8-13)15(20)18-10-12(19)9-14(18)16(21)22/h5-8,12,14,19H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeyFDPWBZONXWFONB-UHFFFAOYSA-N
XLogP0.38
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 2944887) is 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(O)CC2C(=O)O)c1.
What is the InChIKey of 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FDPWBZONXWFONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-3-17(4-2)25(23,24)13-7-5-6-11(8-13)15(20)18-10-12(19)9-14(18)16(21)22/h5-8,12,14,19H,3-4,9-10H2,1-2H3,(H,21,22).
What are the key properties of 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2944887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).