N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

C19H16FN3O3S2 — CID 3412957

IUPACN-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C19H16FN3O3S2/c1-13(14-7-2-4-9-16(14)20)21-22-19(24)15-8-3-5-10-17(15)23-28(25,26)18-11-6-12-27-18/h2-12,23H,1H3,(H,22,24)
InChIKeyCTRSTFSLPXBMAK-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.84
Rot. Bonds6

About N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 3412957) has the molecular formula C19H16FN3O3S2 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID3412957
Molecular FormulaC19H16FN3O3S2
Molecular Weight417.49 g/mol
Exact Mass417.06
IUPAC NameN-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C19H16FN3O3S2/c1-13(14-7-2-4-9-16(14)20)21-22-19(24)15-8-3-5-10-17(15)23-28(25,26)18-11-6-12-27-18/h2-12,23H,1H3,(H,22,24)
InChIKeyCTRSTFSLPXBMAK-UHFFFAOYSA-N
XLogP3.84
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 3412957) is N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is CTRSTFSLPXBMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S2/c1-13(14-7-2-4-9-16(14)20)21-22-19(24)15-8-3-5-10-17(15)23-28(25,26)18-11-6-12-27-18/h2-12,23H,1H3,(H,22,24).
What are the key properties of N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 417.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 3412957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).