1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene

C11H14Cl2N2O2S — CID 5337689

IUPAC1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene
SMILESCCN(CC)S(=O)(=O)N=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2S/c1-3-15(4-2)18(16,17)14-8-9-5-6-10(12)11(13)7-9/h5-8H,3-4H2,1-2H3
InChIKeyHQGXFMNKPHQRNU-UHFFFAOYSA-N
MW309.22 g/mol
LogP3.00
Rot. Bonds5

About 1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene

1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene (PubChem CID 5337689) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene
PubChem CID5337689
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene
SMILESCCN(CC)S(=O)(=O)N=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2S/c1-3-15(4-2)18(16,17)14-8-9-5-6-10(12)11(13)7-9/h5-8H,3-4H2,1-2H3
InChIKeyHQGXFMNKPHQRNU-UHFFFAOYSA-N
XLogP3.00
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene?
The IUPAC name of 1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene (CID 5337689) is 1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene is CCN(CC)S(=O)(=O)N=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene?
The InChIKey is HQGXFMNKPHQRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-3-15(4-2)18(16,17)14-8-9-5-6-10(12)11(13)7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene?
1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene has a molecular weight of 309.22 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(diethylsulfamoyliminomethyl)benzene is sourced from PubChem (CID 5337689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).