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'}

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Related Compounds

(3,4-dichlorophenyl)methylidenehydrazine
CID 3297701
(Z)-1-(3,4-dichlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]methanimine
CID 6108687
2-[(3,4-dichlorophenyl)methylideneamino]ethanesulfonic acid
CID 170554786
(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine
CID 53468142
3,4-dichloro-N-(2-chloroethyl)-N-ethylbenzenesulfonamide
CID 63397566
ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 6861622
ethyl N-[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 5399198
1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene
CID 10617583
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
2-[(3,4-dichlorophenyl)methylideneamino]propanoic acid
CID 22236669
3-[3-chloro-4-(diethylsulfamoyl)phenyl]prop-2-enoic acid
CID 76907150
N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
CID 60681368

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).