1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide

C9H11Cl2FN2O3S2 — CID 141055766

IUPAC1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide
SMILESCN(C)S(=O)(=O)N(c1ccccc1)S(=O)C(F)(Cl)Cl
InChIInChI=1S/C9H11Cl2FN2O3S2/c1-13(2)19(16,17)14(18(15)9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWEXHNLGPQLJEQS-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.02
Rot. Bonds5

About 1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide

1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide (PubChem CID 141055766) has the molecular formula C9H11Cl2FN2O3S2 and a molecular weight of 349.24 g/mol. Its IUPAC name is 1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide.

Molecular Properties

Compound Name1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide
PubChem CID141055766
Molecular FormulaC9H11Cl2FN2O3S2
Molecular Weight349.24 g/mol
Exact Mass347.96
IUPAC Name1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide
SMILESCN(C)S(=O)(=O)N(c1ccccc1)S(=O)C(F)(Cl)Cl
InChIInChI=1S/C9H11Cl2FN2O3S2/c1-13(2)19(16,17)14(18(15)9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWEXHNLGPQLJEQS-UHFFFAOYSA-N
XLogP2.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide?
The IUPAC name of 1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide (CID 141055766) is 1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide.
What is the SMILES notation for 1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide?
The canonical SMILES for 1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide is CN(C)S(=O)(=O)N(c1ccccc1)S(=O)C(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide?
The InChIKey is WEXHNLGPQLJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2FN2O3S2/c1-13(2)19(16,17)14(18(15)9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide?
1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide has a molecular weight of 349.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-N-(dimethylsulfamoyl)-1-fluoro-N-phenylmethanesulfinamide is sourced from PubChem (CID 141055766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).