N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide

C15H13FN2O3S — CID 932431

IUPACN-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O3S/c1-11(19)18-22(20,21)15-8-6-14(7-9-15)17-10-12-2-4-13(16)5-3-12/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyBZLABIBMNZZUIJ-LICLKQGHSA-N
MW320.35 g/mol
LogP2.40
Rot. Bonds4

About N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide

N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide (PubChem CID 932431) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide
PubChem CID932431
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC NameN-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN2O3S/c1-11(19)18-22(20,21)15-8-6-14(7-9-15)17-10-12-2-4-13(16)5-3-12/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyBZLABIBMNZZUIJ-LICLKQGHSA-N
XLogP2.40
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide (CID 932431) is N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide?
The InChIKey is BZLABIBMNZZUIJ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c1-11(19)18-22(20,21)15-8-6-14(7-9-15)17-10-12-2-4-13(16)5-3-12/h2-10H,1H3,(H,18,19)/b17-10+.
What are the key properties of N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide?
N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide has a molecular weight of 320.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methylideneamino]phenyl]sulfonylacetamide is sourced from PubChem (CID 932431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).