1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine

C16H15F2N3O3S — CID 25007647

IUPAC1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2ccoc2C)c(-c2cccnc2F)c1F
InChIInChI=1S/C16H15F2N3O3S/c1-10-13(5-7-24-10)25(22,23)21-9-11(8-19-2)14(17)15(21)12-4-3-6-20-16(12)18/h3-7,9,19H,8H2,1-2H3
InChIKeyVHIIXGQCRLJUNB-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.69
Rot. Bonds5

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

1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 25007647) has the molecular formula C16H15F2N3O3S and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine
PubChem CID25007647
Molecular FormulaC16H15F2N3O3S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2ccoc2C)c(-c2cccnc2F)c1F
InChIInChI=1S/C16H15F2N3O3S/c1-10-13(5-7-24-10)25(22,23)21-9-11(8-19-2)14(17)15(21)12-4-3-6-20-16(12)18/h3-7,9,19H,8H2,1-2H3
InChIKeyVHIIXGQCRLJUNB-UHFFFAOYSA-N
XLogP2.69
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.69
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-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine (CID 25007647) is 1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine is CNCc1cn(S(=O)(=O)c2ccoc2C)c(-c2cccnc2F)c1F.
What is the InChIKey of 1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is VHIIXGQCRLJUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3S/c1-10-13(5-7-24-10)25(22,23)21-9-11(8-19-2)14(17)15(21)12-4-3-6-20-16(12)18/h3-7,9,19H,8H2,1-2H3.
What are the key properties of 1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine?
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 367.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(2-methylfuran-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 25007647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).