(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide

C13H18FN3O3S — CID 126425242

IUPAC(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESNS(=O)(=O)C[C@@H]1CCN(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN3O3S/c14-12-3-1-10(2-4-12)7-16-13(18)17-6-5-11(8-17)9-21(15,19)20/h1-4,11H,5-9H2,(H,16,18)(H2,15,19,20)/t11-/m1/s1
InChIKeyCHASBVQEKYSWJZ-LLVKDONJSA-N
MW315.37 g/mol
LogP0.65
Rot. Bonds4

About (3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide

(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide (PubChem CID 126425242) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is (3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
PubChem CID126425242
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESNS(=O)(=O)C[C@@H]1CCN(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN3O3S/c14-12-3-1-10(2-4-12)7-16-13(18)17-6-5-11(8-17)9-21(15,19)20/h1-4,11H,5-9H2,(H,16,18)(H2,15,19,20)/t11-/m1/s1
InChIKeyCHASBVQEKYSWJZ-LLVKDONJSA-N
XLogP0.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)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

[(3S)-1-[4-(4-fluorophenyl)-4-oxobutanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 125163683
(3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126446748
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126437226
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
[1-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 146039511
N-[(5-ethylthiophen-2-yl)methyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 119051482
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 122556978
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 111443773
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108867667

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide (CID 126425242) is (3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide is NS(=O)(=O)C[C@@H]1CCN(C(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is CHASBVQEKYSWJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c14-12-3-1-10(2-4-12)7-16-13(18)17-6-5-11(8-17)9-21(15,19)20/h1-4,11H,5-9H2,(H,16,18)(H2,15,19,20)/t11-/m1/s1.
What are the key properties of (3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126425242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).