4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine

C16H18FN3O2S — CID 118740198

IUPAC4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(C2CCCN2S(=O)(=O)c2cccc(F)c2)ccn1
InChIInChI=1S/C16H18FN3O2S/c1-18-16-10-12(7-8-19-16)15-6-3-9-20(15)23(21,22)14-5-2-4-13(17)11-14/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3,(H,18,19)
InChIKeyQALMKDCMGIVASC-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.79
Rot. Bonds4

About 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine

4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine (PubChem CID 118740198) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine
PubChem CID118740198
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(C2CCCN2S(=O)(=O)c2cccc(F)c2)ccn1
InChIInChI=1S/C16H18FN3O2S/c1-18-16-10-12(7-8-19-16)15-6-3-9-20(15)23(21,22)14-5-2-4-13(17)11-14/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3,(H,18,19)
InChIKeyQALMKDCMGIVASC-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine 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 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine (CID 118740198) is 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine is CNc1cc(C2CCCN2S(=O)(=O)c2cccc(F)c2)ccn1.
What is the InChIKey of 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine?
The InChIKey is QALMKDCMGIVASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-18-16-10-12(7-8-19-16)15-6-3-9-20(15)23(21,22)14-5-2-4-13(17)11-14/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3,(H,18,19).
What are the key properties of 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine?
4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine has a molecular weight of 335.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 118740198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).