4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline

C20H16F2N2O2S — CID 57421913

IUPAC4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline
SMILESC/C(=N\Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H16F2N2O2S/c1-14(19-12-7-15(21)13-20(19)22)23-24-16-8-10-18(11-9-16)27(25,26)17-5-3-2-4-6-17/h2-13,24H,1H3/b23-14+
InChIKeyHLCNMIQNGJADTB-OEAKJJBVSA-N
MW386.42 g/mol
LogP4.63
Rot. Bonds5

About 4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline

4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline (PubChem CID 57421913) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline
PubChem CID57421913
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC Name4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline
SMILESC/C(=N\Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H16F2N2O2S/c1-14(19-12-7-15(21)13-20(19)22)23-24-16-8-10-18(11-9-16)27(25,26)17-5-3-2-4-6-17/h2-13,24H,1H3/b23-14+
InChIKeyHLCNMIQNGJADTB-OEAKJJBVSA-N
XLogP4.63
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.63
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-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline?
The IUPAC name of 4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline (CID 57421913) is 4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline is C/C(=N\Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline?
The InChIKey is HLCNMIQNGJADTB-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c1-14(19-12-7-15(21)13-20(19)22)23-24-16-8-10-18(11-9-16)27(25,26)17-5-3-2-4-6-17/h2-13,24H,1H3/b23-14+.
What are the key properties of 4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline?
4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline has a molecular weight of 386.42 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline is sourced from PubChem (CID 57421913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).