N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide

C14H12Cl2N2O3S — CID 135520045

IUPACN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H12Cl2N2O3S/c1-9(12-7-10(15)8-13(16)14(12)19)17-18-22(20,21)11-5-3-2-4-6-11/h2-8,18-19H,1H3/b17-9+
InChIKeyQRANOIXFXZWWLB-RQZCQDPDSA-N
MW359.23 g/mol
LogP3.40
Rot. Bonds4

About N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide

N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide (PubChem CID 135520045) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide
PubChem CID135520045
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H12Cl2N2O3S/c1-9(12-7-10(15)8-13(16)14(12)19)17-18-22(20,21)11-5-3-2-4-6-11/h2-8,18-19H,1H3/b17-9+
InChIKeyQRANOIXFXZWWLB-RQZCQDPDSA-N
XLogP3.40
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide (CID 135520045) is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide is C/C(=N\NS(=O)(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is QRANOIXFXZWWLB-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-9(12-7-10(15)8-13(16)14(12)19)17-18-22(20,21)11-5-3-2-4-6-11/h2-8,18-19H,1H3/b17-9+.
What are the key properties of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide?
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 359.23 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 135520045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).