N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide

C19H21FN2O3S — CID 91907619

IUPACN-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccc1
InChIInChI=1S/C19H21FN2O3S/c20-17-6-8-18(9-7-17)26(24,25)22-11-10-16(14-22)12-19(23)21-13-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,21,23)
InChIKeySMZCQCBZGTUCME-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.54
Rot. Bonds6

About N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide

N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide (PubChem CID 91907619) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide
PubChem CID91907619
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccc1
InChIInChI=1S/C19H21FN2O3S/c20-17-6-8-18(9-7-17)26(24,25)22-11-10-16(14-22)12-19(23)21-13-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,21,23)
InChIKeySMZCQCBZGTUCME-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide (CID 91907619) is N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide is O=C(CC1CCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide?
The InChIKey is SMZCQCBZGTUCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-17-6-8-18(9-7-17)26(24,25)22-11-10-16(14-22)12-19(23)21-13-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,21,23).
What are the key properties of N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide?
N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide has a molecular weight of 376.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91907619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).