4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide

C19H13Cl2FN2O3S — CID 1272124

IUPAC4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C19H13Cl2FN2O3S/c20-13-9-12(19(25)18(21)10-13)11-23-15-5-7-17(8-6-15)28(26,27)24-16-3-1-14(22)2-4-16/h1-11,24-25H/b23-11+
InChIKeyNKXLXDMUXLHWPW-FOKLQQMPSA-N
MW439.30 g/mol
LogP5.39
Rot. Bonds5

About 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide

4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 1272124) has the molecular formula C19H13Cl2FN2O3S and a molecular weight of 439.30 g/mol. Its IUPAC name is 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID1272124
Molecular FormulaC19H13Cl2FN2O3S
Molecular Weight439.30 g/mol
Exact Mass438.00
IUPAC Name4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C19H13Cl2FN2O3S/c20-13-9-12(19(25)18(21)10-13)11-23-15-5-7-17(8-6-15)28(26,27)24-16-3-1-14(22)2-4-16/h1-11,24-25H/b23-11+
InChIKeyNKXLXDMUXLHWPW-FOKLQQMPSA-N
XLogP5.39
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 1015011
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide
CID 2725439
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589307
4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 1375859
5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
CID 1409765
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
N-(4-methoxyphenyl)-4-[[5-methyl-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 1008787
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide (CID 1272124) is 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is NKXLXDMUXLHWPW-FOKLQQMPSA-N. The full InChI is InChI=1S/C19H13Cl2FN2O3S/c20-13-9-12(19(25)18(21)10-13)11-23-15-5-7-17(8-6-15)28(26,27)24-16-3-1-14(22)2-4-16/h1-11,24-25H/b23-11+.
What are the key properties of 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide?
4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 439.30 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 1272124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).