ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate

C13H18N2O4S — CID 62006690

IUPACethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-2-19-13(16)12-4-3-9-15(12)10-5-7-11(8-6-10)20(14,17)18/h5-8,12H,2-4,9H2,1H3,(H2,14,17,18)
InChIKeyXCOWLFUDPPTFCQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.87
Rot. Bonds4

About ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate

ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate (PubChem CID 62006690) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate
PubChem CID62006690
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Nameethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-2-19-13(16)12-4-3-9-15(12)10-5-7-11(8-6-10)20(14,17)18/h5-8,12H,2-4,9H2,1H3,(H2,14,17,18)
InChIKeyXCOWLFUDPPTFCQ-UHFFFAOYSA-N
XLogP0.87
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate 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

ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
ethyl 1-(4-carbamothioylphenyl)piperidine-2-carboxylate
CID 43648340
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
ethyl 1-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxylate
CID 62006305
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
CID 2198274
methyl 1-(4-methylsulfonylphenyl)piperidine-2-carboxylate
CID 115538364
ethyl 1-(2-carbamothioylphenyl)pyrrolidine-2-carboxylate
CID 55006616
ethyl (3R)-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 1289838
ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 15158260
ethyl 1-(3-methyl-5-nitrophenyl)piperidine-2-carboxylate
CID 115981674
ethyl (2R)-1-(4-tert-butylphenyl)sulfonylpiperidine-2-carboxylate
CID 52505893
ethyl 1-(2-hydroxycyclohexyl)pyrrolidine-2-carboxylate
CID 62028179

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate (CID 62006690) is ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate?
The InChIKey is XCOWLFUDPPTFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-2-19-13(16)12-4-3-9-15(12)10-5-7-11(8-6-10)20(14,17)18/h5-8,12H,2-4,9H2,1H3,(H2,14,17,18).
What are the key properties of ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate?
ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62006690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).