methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate

C17H24N2O6S — CID 3301649

IUPACmethyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(O)CC2C(=O)OC)c1
InChIInChI=1S/C17H24N2O6S/c1-4-18(5-2)26(23,24)14-8-6-7-12(9-14)16(21)19-11-13(20)10-15(19)17(22)25-3/h6-9,13,15,20H,4-5,10-11H2,1-3H3
InChIKeyCMXJMZHNKWGFDX-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.47
Rot. Bonds6

About methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate

methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 3301649) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID3301649
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Namemethyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(O)CC2C(=O)OC)c1
InChIInChI=1S/C17H24N2O6S/c1-4-18(5-2)26(23,24)14-8-6-7-12(9-14)16(21)19-11-13(20)10-15(19)17(22)25-3/h6-9,13,15,20H,4-5,10-11H2,1-3H3
InChIKeyCMXJMZHNKWGFDX-UHFFFAOYSA-N
XLogP0.47
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate (CID 3301649) is methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate is CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(O)CC2C(=O)OC)c1.
What is the InChIKey of methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is CMXJMZHNKWGFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-4-18(5-2)26(23,24)14-8-6-7-12(9-14)16(21)19-11-13(20)10-15(19)17(22)25-3/h6-9,13,15,20H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 384.45 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(diethylsulfamoyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 3301649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).