1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid

C15H22N2O6S2 — CID 120782397

IUPAC1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2C(=O)O)c1
InChIInChI=1S/C15H22N2O6S2/c1-3-16(4-2)24(20,21)12-7-5-8-13(11-12)25(22,23)17-10-6-9-14(17)15(18)19/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3,(H,18,19)
InChIKeyGQOVVJSNOKPNFZ-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.95
Rot. Bonds7

About 1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid

1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 120782397) has the molecular formula C15H22N2O6S2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
PubChem CID120782397
Molecular FormulaC15H22N2O6S2
Molecular Weight390.48 g/mol
Exact Mass390.09
IUPAC Name1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2C(=O)O)c1
InChIInChI=1S/C15H22N2O6S2/c1-3-16(4-2)24(20,21)12-7-5-8-13(11-12)25(22,23)17-10-6-9-14(17)15(18)19/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3,(H,18,19)
InChIKeyGQOVVJSNOKPNFZ-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

(2S)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 1457949
(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78920787
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2215364
[3-[(2R)-2-carboxypyrrolidin-1-yl]sulfonylphenyl]-methyl-oxoazanium
CID 7063075
1-(3-ethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 120728800
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 43062096
(2S)-1-[2-chloro-5-(diethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 41273093
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237854
(2R)-1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923299
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24615851
3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride
CID 120998716

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid (CID 120782397) is 1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid is CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2C(=O)O)c1.
What is the InChIKey of 1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is GQOVVJSNOKPNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S2/c1-3-16(4-2)24(20,21)12-7-5-8-13(11-12)25(22,23)17-10-6-9-14(17)15(18)19/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
1-[3-(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-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120782397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).