N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide

C14H13FN2O2S — CID 4226997

IUPACN-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S/c1-11(12-7-9-13(15)10-8-12)16-17-20(18,19)14-5-3-2-4-6-14/h2-10,17H,1H3
InChIKeyBROPFBYZQYQOPP-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide

N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide (PubChem CID 4226997) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide
PubChem CID4226997
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC NameN-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S/c1-11(12-7-9-13(15)10-8-12)16-17-20(18,19)14-5-3-2-4-6-14/h2-10,17H,1H3
InChIKeyBROPFBYZQYQOPP-UHFFFAOYSA-N
XLogP2.53
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-fluorophenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide (CID 4226997) is N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide is CC(=NNS(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is BROPFBYZQYQOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-11(12-7-9-13(15)10-8-12)16-17-20(18,19)14-5-3-2-4-6-14/h2-10,17H,1H3.
What are the key properties of N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide?
N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 292.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 4226997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).