chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate

C9H9ClF2N2O3S — CID 90029633

IUPACchloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate
SMILESCN(C)S(=O)(=O)N=C(OCl)c1ccc(F)cc1F
InChIInChI=1S/C9H9ClF2N2O3S/c1-14(2)18(15,16)13-9(17-10)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3
InChIKeyXZPGYKUWGRUQCQ-UHFFFAOYSA-N
MW298.70 g/mol
LogP1.69
Rot. Bonds3

About chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate

chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate (PubChem CID 90029633) has the molecular formula C9H9ClF2N2O3S and a molecular weight of 298.70 g/mol. Its IUPAC name is chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate.

Molecular Properties

Compound Namechloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate
PubChem CID90029633
Molecular FormulaC9H9ClF2N2O3S
Molecular Weight298.70 g/mol
Exact Mass298.00
IUPAC Namechloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate
SMILESCN(C)S(=O)(=O)N=C(OCl)c1ccc(F)cc1F
InChIInChI=1S/C9H9ClF2N2O3S/c1-14(2)18(15,16)13-9(17-10)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3
InChIKeyXZPGYKUWGRUQCQ-UHFFFAOYSA-N
XLogP1.69
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate?
The IUPAC name of chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate (CID 90029633) is chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate.
What is the SMILES notation for chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate?
The canonical SMILES for chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate is CN(C)S(=O)(=O)N=C(OCl)c1ccc(F)cc1F.
What is the InChIKey of chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate?
The InChIKey is XZPGYKUWGRUQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O3S/c1-14(2)18(15,16)13-9(17-10)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3.
What are the key properties of chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate?
chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate has a molecular weight of 298.70 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro N-(dimethylsulfamoyl)-2,4-difluorobenzenecarboximidate is sourced from PubChem (CID 90029633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).