N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

C18H14FN3O3S2 — CID 2428556

IUPACN-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=Cc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H14FN3O3S2/c19-14-9-7-13(8-10-14)12-20-21-18(23)15-4-1-2-5-16(15)22-27(24,25)17-6-3-11-26-17/h1-12,22H,(H,21,23)
InChIKeyWXOHFUVAVBYEEF-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.45
Rot. Bonds6

About N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2428556) has the molecular formula C18H14FN3O3S2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2428556
Molecular FormulaC18H14FN3O3S2
Molecular Weight403.46 g/mol
Exact Mass403.05
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=Cc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H14FN3O3S2/c19-14-9-7-13(8-10-14)12-20-21-18(23)15-4-1-2-5-16(15)22-27(24,25)17-6-3-11-26-17/h1-12,22H,(H,21,23)
InChIKeyWXOHFUVAVBYEEF-UHFFFAOYSA-N
XLogP3.45
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.45
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-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 2428556) is N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is O=C(NN=Cc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is WXOHFUVAVBYEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S2/c19-14-9-7-13(8-10-14)12-20-21-18(23)15-4-1-2-5-16(15)22-27(24,25)17-6-3-11-26-17/h1-12,22H,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 403.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2428556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).