1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine

C17H15FN2O2S2 — CID 68729417

IUPAC1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2F)c(S(=O)(=O)c2cccnc2)s1
InChIInChI=1S/C17H15FN2O2S2/c1-19-10-12-9-15(14-6-2-3-7-16(14)18)17(23-12)24(21,22)13-5-4-8-20-11-13/h2-9,11,19H,10H2,1H3
InChIKeyPKPUMVWSZOAMAB-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.50
Rot. Bonds5

About 1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine

1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine (PubChem CID 68729417) has the molecular formula C17H15FN2O2S2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine
PubChem CID68729417
Molecular FormulaC17H15FN2O2S2
Molecular Weight362.45 g/mol
Exact Mass362.06
IUPAC Name1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2F)c(S(=O)(=O)c2cccnc2)s1
InChIInChI=1S/C17H15FN2O2S2/c1-19-10-12-9-15(14-6-2-3-7-16(14)18)17(23-12)24(21,22)13-5-4-8-20-11-13/h2-9,11,19H,10H2,1H3
InChIKeyPKPUMVWSZOAMAB-UHFFFAOYSA-N
XLogP3.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine 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 1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine (CID 68729417) is 1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine is CNCc1cc(-c2ccccc2F)c(S(=O)(=O)c2cccnc2)s1.
What is the InChIKey of 1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is PKPUMVWSZOAMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S2/c1-19-10-12-9-15(14-6-2-3-7-16(14)18)17(23-12)24(21,22)13-5-4-8-20-11-13/h2-9,11,19H,10H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine?
1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 362.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-5-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 68729417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).