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

C16H14FN3O2S2 — CID 25234873

IUPAC1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)s1
InChIInChI=1S/C16H14FN3O2S2/c1-18-9-11-8-14(24(21,22)12-4-2-6-19-10-12)15(23-11)13-5-3-7-20-16(13)17/h2-8,10,18H,9H2,1H3
InChIKeyVNANHXOBKGIJQY-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.90
Rot. Bonds5

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

1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine (PubChem CID 25234873) has the molecular formula C16H14FN3O2S2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine
PubChem CID25234873
Molecular FormulaC16H14FN3O2S2
Molecular Weight363.44 g/mol
Exact Mass363.05
IUPAC Name1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)s1
InChIInChI=1S/C16H14FN3O2S2/c1-18-9-11-8-14(24(21,22)12-4-2-6-19-10-12)15(23-11)13-5-3-7-20-16(13)17/h2-8,10,18H,9H2,1H3
InChIKeyVNANHXOBKGIJQY-UHFFFAOYSA-N
XLogP2.90
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine (CID 25234873) is 1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine is CNCc1cc(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)s1.
What is the InChIKey of 1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is VNANHXOBKGIJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S2/c1-18-9-11-8-14(24(21,22)12-4-2-6-19-10-12)15(23-11)13-5-3-7-20-16(13)17/h2-8,10,18H,9H2,1H3.
What are the key properties of 1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine?
1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 363.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-3-pyridinyl)-4-pyridin-3-ylsulfonylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 25234873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).