3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid

C19H20FN3O5S — CID 134564716

IUPAC3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CCN(C(=O)O)C2)c1F
InChIInChI=1S/C19H20FN3O5S/c1-12-9-14(13-5-3-2-4-6-13)10-16(17(12)20)18(24)21-22-29(27,28)15-7-8-23(11-15)19(25)26/h2-6,9-10,15,22H,7-8,11H2,1H3,(H,21,24)(H,25,26)
InChIKeyFWSOIHXBNIRCAL-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.12
Rot. Bonds5

About 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid

3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 134564716) has the molecular formula C19H20FN3O5S and a molecular weight of 421.45 g/mol. Its IUPAC name is 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid
PubChem CID134564716
Molecular FormulaC19H20FN3O5S
Molecular Weight421.45 g/mol
Exact Mass421.11
IUPAC Name3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CCN(C(=O)O)C2)c1F
InChIInChI=1S/C19H20FN3O5S/c1-12-9-14(13-5-3-2-4-6-13)10-16(17(12)20)18(24)21-22-29(27,28)15-7-8-23(11-15)19(25)26/h2-6,9-10,15,22H,7-8,11H2,1H3,(H,21,24)(H,25,26)
InChIKeyFWSOIHXBNIRCAL-UHFFFAOYSA-N
XLogP2.12
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-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

Tert-butyl 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoylmethyl]piperidine-1-carboxylate
CID 134581174
2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide
CID 134581179
2-fluoro-3-methyl-5-(3-methylphenyl)-N'-(pyrrolidin-3-ylmethylsulfonyl)benzohydrazide
CID 167076279
2-fluoro-N'-[3-(methylamino)propylsulfonyl]-5-(3-methylphenyl)benzohydrazide
CID 167076281
Tert-butyl 3-[[[2-fluoro-3-methyl-5-(3-methylphenyl)benzoyl]amino]sulfamoylmethyl]pyrrolidine-1-carboxylate
CID 167076484
2-fluoro-3-methyl-5-(3-methylphenyl)-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide
CID 167076554
N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-2-sulfonamide
CID 9954517
N-[2-fluoro-2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]propyl]propane-1-sulfonamide
CID 57258515
N'-methylsulfonyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 68700364
3-[[(2-Fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]azetidine-1-carboxylic acid
CID 134564583
N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134564615
Tert-butyl 4-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoylmethyl]piperidine-1-carboxylate
CID 134580933

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid (CID 134564716) is 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid is Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CCN(C(=O)O)C2)c1F.
What is the InChIKey of 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is FWSOIHXBNIRCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5S/c1-12-9-14(13-5-3-2-4-6-13)10-16(17(12)20)18(24)21-22-29(27,28)15-7-8-23(11-15)19(25)26/h2-6,9-10,15,22H,7-8,11H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid?
3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 421.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 134564716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).