(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H14N2O6S2 — CID 78920787

IUPAC(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C11H14N2O6S2/c12-20(16,17)8-3-1-4-9(7-8)21(18,19)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15)(H2,12,16,17)/t10-/m1/s1
InChIKeyYOPPUSDDDBMJOE-SNVBAGLBSA-N
MW334.38 g/mol
LogP-0.43
Rot. Bonds4

About (2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid

(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 78920787) has the molecular formula C11H14N2O6S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID78920787
Molecular FormulaC11H14N2O6S2
Molecular Weight334.38 g/mol
Exact Mass334.03
IUPAC Name(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C11H14N2O6S2/c12-20(16,17)8-3-1-4-9(7-8)21(18,19)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15)(H2,12,16,17)/t10-/m1/s1
InChIKeyYOPPUSDDDBMJOE-SNVBAGLBSA-N
XLogP-0.43
TPSA134.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 120782397
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2215364
[3-[(2R)-2-carboxypyrrolidin-1-yl]sulfonylphenyl]-methyl-oxoazanium
CID 7063075
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 647028
(2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923074
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
1-(3-ethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 120728800
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 119984868
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78923122

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 78920787) is (2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid is NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is YOPPUSDDDBMJOE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O6S2/c12-20(16,17)8-3-1-4-9(7-8)21(18,19)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15)(H2,12,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid?
(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78920787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).