4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide

C13H10Cl2N2O3S — CID 135457705

IUPAC4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2O3S/c14-10-1-4-12(5-2-10)21(19,20)17-16-8-9-7-11(15)3-6-13(9)18/h1-8,17-18H/b16-8+
InChIKeyGEWCDEYVNBYFFI-LZYBPNLTSA-N
MW345.21 g/mol
LogP3.01
Rot. Bonds4

About 4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide

4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 135457705) has the molecular formula C13H10Cl2N2O3S and a molecular weight of 345.21 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID135457705
Molecular FormulaC13H10Cl2N2O3S
Molecular Weight345.21 g/mol
Exact Mass343.98
IUPAC Name4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2O3S/c14-10-1-4-12(5-2-10)21(19,20)17-16-8-9-7-11(15)3-6-13(9)18/h1-8,17-18H/b16-8+
InChIKeyGEWCDEYVNBYFFI-LZYBPNLTSA-N
XLogP3.01
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.01
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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Related Compounds

N'-[(E)-(2-hydroxyphenyl)methylidene]-4-methylbenzene-1-sulfonohydrazide
CID 135412016
4-chloro-N'-[1-(4-hydroxyphenyl)ethylidene]benzenesulfonohydrazide
CID 135426125
4-[2-[(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 135595465
4-{2-[(5-Chloro-2-hydroxybenzylidene)amino]ethyl}benzenesulfonamide
CID 135595467
4-chloro-N'-[(Z)-(2-hydroxyphenyl)methylidene]benzenesulfonohydrazide
CID 135647883
(E)-5-Chlorosalicylidene-p-toluenesulfonohydrazide
CID 135473162
4-chloro-N'-[1-(3-hydroxyphenyl)ethylidene]benzenesulfonohydrazide
CID 5986487
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135520045
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]benzenesulfonohydrazide
CID 135607515
n'-(2-Hydroxybenzylidene)benzenesulfonohydrazide
CID 135685199
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 247820
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2818687

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (CID 135457705) is 4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is GEWCDEYVNBYFFI-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3S/c14-10-1-4-12(5-2-10)21(19,20)17-16-8-9-7-11(15)3-6-13(9)18/h1-8,17-18H/b16-8+.
What are the key properties of 4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 345.21 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 135457705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).