N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide

C15H16FN3O2S — CID 56650262

IUPACN-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc([C@H]3C[C@@H]3N)cn2)ccc1F
InChIInChI=1S/C15H16FN3O2S/c1-22(20,21)19-15-6-9(2-4-12(15)16)14-5-3-10(8-18-14)11-7-13(11)17/h2-6,8,11,13,19H,7,17H2,1H3/t11-,13+/m1/s1
InChIKeyPAUGDLWYZOWXHV-YPMHNXCESA-N
MW321.38 g/mol
LogP2.07
Rot. Bonds4

About N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide

N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide (PubChem CID 56650262) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide
PubChem CID56650262
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc([C@H]3C[C@@H]3N)cn2)ccc1F
InChIInChI=1S/C15H16FN3O2S/c1-22(20,21)19-15-6-9(2-4-12(15)16)14-5-3-10(8-18-14)11-7-13(11)17/h2-6,8,11,13,19H,7,17H2,1H3/t11-,13+/m1/s1
InChIKeyPAUGDLWYZOWXHV-YPMHNXCESA-N
XLogP2.07
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide 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-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide (CID 56650262) is N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ccc([C@H]3C[C@@H]3N)cn2)ccc1F.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide?
The InChIKey is PAUGDLWYZOWXHV-YPMHNXCESA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-22(20,21)19-15-6-9(2-4-12(15)16)14-5-3-10(8-18-14)11-7-13(11)17/h2-6,8,11,13,19H,7,17H2,1H3/t11-,13+/m1/s1.
What are the key properties of N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide?
N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide has a molecular weight of 321.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 56650262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).