4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline

C20H16F2N2O2S — CID 69390660

IUPAC4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline
SMILESO=S(=O)(c1ccccc1)c1ccc(NN=CCc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H16F2N2O2S/c21-16-7-6-15(20(22)14-16)12-13-23-24-17-8-10-19(11-9-17)27(25,26)18-4-2-1-3-5-18/h1-11,13-14,24H,12H2
InChIKeyBPGPXJHMXHYGGV-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.44
Rot. Bonds6

About 4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline

4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline (PubChem CID 69390660) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline
PubChem CID69390660
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC Name4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline
SMILESO=S(=O)(c1ccccc1)c1ccc(NN=CCc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H16F2N2O2S/c21-16-7-6-15(20(22)14-16)12-13-23-24-17-8-10-19(11-9-17)27(25,26)18-4-2-1-3-5-18/h1-11,13-14,24H,12H2
InChIKeyBPGPXJHMXHYGGV-UHFFFAOYSA-N
XLogP4.44
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline?
The IUPAC name of 4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline (CID 69390660) is 4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline?
The canonical SMILES for 4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline is O=S(=O)(c1ccccc1)c1ccc(NN=CCc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline?
The InChIKey is BPGPXJHMXHYGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c21-16-7-6-15(20(22)14-16)12-13-23-24-17-8-10-19(11-9-17)27(25,26)18-4-2-1-3-5-18/h1-11,13-14,24H,12H2.
What are the key properties of 4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline?
4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline has a molecular weight of 386.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[2-(2,4-difluorophenyl)ethylideneamino]aniline is sourced from PubChem (CID 69390660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).