1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid

C13H16N2O5S — CID 119355685

IUPAC1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C13H16N2O5S/c1-14-21(19,20)10-6-4-9(5-7-10)12(16)15-8-2-3-11(15)13(17)18/h4-7,11,14H,2-3,8H2,1H3,(H,17,18)
InChIKeyMHNMOHGHOMUYJY-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.28
Rot. Bonds4

About 1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid

1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355685) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID119355685
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCC2C(=O)O)cc1
InChIInChI=1S/C13H16N2O5S/c1-14-21(19,20)10-6-4-9(5-7-10)12(16)15-8-2-3-11(15)13(17)18/h4-7,11,14H,2-3,8H2,1H3,(H,17,18)
InChIKeyMHNMOHGHOMUYJY-UHFFFAOYSA-N
XLogP0.28
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[4-(tert-butylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119364995
(2S)-1-[4-(butan-2-ylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 45339369
(2S)-1-(4-propan-2-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119365064
1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355684
1-[3-[4-(methylsulfamoyl)phenyl]prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 126786839
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 45339353
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
(2S)-1-[4-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoyl]pyrrolidine-2-carboxylic acid
CID 119365340
(2S)-1-[4-(2-methoxyethylsulfonyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119364967
1-[4-(methylsulfonylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 43239530
1-[(E)-3-[4-(methylsulfamoyl)phenyl]prop-2-enoyl]piperidine-2-carboxylic acid
CID 75417950

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid (CID 119355685) is 1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid is CNS(=O)(=O)c1ccc(C(=O)N2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MHNMOHGHOMUYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-14-21(19,20)10-6-4-9(5-7-10)12(16)15-8-2-3-11(15)13(17)18/h4-7,11,14H,2-3,8H2,1H3,(H,17,18).
What are the key properties of 1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).