N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide

C15H14Cl2N2O2S — CID 4017599

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2S/c1-10-3-4-11(2)15(7-10)22(20,21)19-18-9-12-5-6-13(16)8-14(12)17/h3-9,19H,1-2H3
InChIKeyQHKYJFVKIRSEMG-UHFFFAOYSA-N
MW357.26 g/mol
LogP3.92
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide

N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide (PubChem CID 4017599) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
PubChem CID4017599
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2S/c1-10-3-4-11(2)15(7-10)22(20,21)19-18-9-12-5-6-13(16)8-14(12)17/h3-9,19H,1-2H3
InChIKeyQHKYJFVKIRSEMG-UHFFFAOYSA-N
XLogP3.92
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 136807805
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135624522
N-[(2,4-dichlorophenyl)methylideneamino]methanesulfonamide
CID 867204
4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
CID 6898223
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6907840
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
2,5-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 6892667
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide (CID 4017599) is N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NN=Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is QHKYJFVKIRSEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c1-10-3-4-11(2)15(7-10)22(20,21)19-18-9-12-5-6-13(16)8-14(12)17/h3-9,19H,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide has a molecular weight of 357.26 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 4017599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).