3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide

C13H18FN3O3S — CID 154783713

IUPAC3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN3O3S/c14-10-1-3-12(4-2-10)21(19,20)8-6-16-11-5-7-17(9-11)13(15)18/h1-4,11,16H,5-9H2,(H2,15,18)
InChIKeyYBWGAPNVMWVTRY-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.34
Rot. Bonds5

About 3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide

3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide (PubChem CID 154783713) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide
PubChem CID154783713
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN3O3S/c14-10-1-3-12(4-2-10)21(19,20)8-6-16-11-5-7-17(9-11)13(15)18/h1-4,11,16H,5-9H2,(H2,15,18)
InChIKeyYBWGAPNVMWVTRY-UHFFFAOYSA-N
XLogP0.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide 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

N'-[2-(4-fluorophenyl)sulfonylethyl]-3-methylpiperidine-1-carboximidamide
CID 86779414
3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide
CID 70653753
3-[3-(4-tert-butylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide
CID 70646051
N'-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboximidamide
CID 86779416
1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 72937364
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
4-(2-aminoethyl)-3-(4-fluorophenyl)piperidine-1-carboxamide
CID 169224360
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
CID 60819629
tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate
CID 18374764
3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide
CID 131036642
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine
CID 64646432

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide (CID 154783713) is 3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide is NC(=O)N1CCC(NCCS(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide?
The InChIKey is YBWGAPNVMWVTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c14-10-1-3-12(4-2-10)21(19,20)8-6-16-11-5-7-17(9-11)13(15)18/h1-4,11,16H,5-9H2,(H2,15,18).
What are the key properties of 3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide?
3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 154783713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).