N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide

C15H14Cl2N2O3S — CID 136807805

IUPACN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H14Cl2N2O3S/c1-9-3-4-10(2)14(5-9)23(21,22)19-18-8-11-6-12(16)7-13(17)15(11)20/h3-8,19-20H,1-2H3/b18-8-
InChIKeyLRMYLYAWWIZUHK-LSCVHKIXSA-N
MW373.26 g/mol
LogP3.63
Rot. Bonds4

About N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide (PubChem CID 136807805) has the molecular formula C15H14Cl2N2O3S and a molecular weight of 373.26 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
PubChem CID136807805
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.26 g/mol
Exact Mass372.01
IUPAC NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H14Cl2N2O3S/c1-9-3-4-10(2)14(5-9)23(21,22)19-18-8-11-6-12(16)7-13(17)15(11)20/h3-8,19-20H,1-2H3/b18-8-
InChIKeyLRMYLYAWWIZUHK-LSCVHKIXSA-N
XLogP3.63
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 53.63
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-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4017599
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135702068
2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135722913
N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135624522
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2117929
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9231622
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
2,5-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 6892667
N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 136873469

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide (CID 136807805) is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is LRMYLYAWWIZUHK-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S/c1-9-3-4-10(2)14(5-9)23(21,22)19-18-8-11-6-12(16)7-13(17)15(11)20/h3-8,19-20H,1-2H3/b18-8-.
What are the key properties of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide has a molecular weight of 373.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 136807805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).