[[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene

C8H9Cl2FN2O2S2 — CID 19024292

IUPAC[[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene
SMILESCN(c1ccccc1)S(=O)(=O)NSC(F)(Cl)Cl
InChIInChI=1S/C8H9Cl2FN2O2S2/c1-13(7-5-3-2-4-6-7)17(14,15)12-16-8(9,10)11/h2-6,12H,1H3
InChIKeyMJPWMOLTXBCZSX-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.66
Rot. Bonds5

About [[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene

[[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene (PubChem CID 19024292) has the molecular formula C8H9Cl2FN2O2S2 and a molecular weight of 319.21 g/mol. Its IUPAC name is [[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene.

Molecular Properties

Compound Name[[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene
PubChem CID19024292
Molecular FormulaC8H9Cl2FN2O2S2
Molecular Weight319.21 g/mol
Exact Mass317.95
IUPAC Name[[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene
SMILESCN(c1ccccc1)S(=O)(=O)NSC(F)(Cl)Cl
InChIInChI=1S/C8H9Cl2FN2O2S2/c1-13(7-5-3-2-4-6-7)17(14,15)12-16-8(9,10)11/h2-6,12H,1H3
InChIKeyMJPWMOLTXBCZSX-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dichlofluanid
CID 14145
N-methyl-N-phenylmethanesulfonamide
CID 733944
N-[4-(dimethylamino)phenyl]sulfamide
CID 44380951
N-methyl-N-phenylaminosulfonamide
CID 21416968
[Butyl(phenyl)sulfamoyl]dimethylamine
CID 3778134
Sulfamoyl azide, methylphenyl-
CID 214661
N-Methyl-N-(trifluoromethylthio)aniline
CID 25013449
Methanesulfonamide, 1,1,1-trifluoro-N-methyl-N-phenyl-
CID 12288234
Sodium methylphenylsulfamate
CID 23690703
Trimethylanilinium triflate
CID 118693686
N-methyl-N-phenylsulfamoyl fluoride
CID 138664472
[(Dimethylamino)sulfonyl]methylphenylamine
CID 669951

Frequently Asked Questions

What is the IUPAC name of [[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene?
The IUPAC name of [[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene (CID 19024292) is [[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene.
What is the SMILES notation for [[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene?
The canonical SMILES for [[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene is CN(c1ccccc1)S(=O)(=O)NSC(F)(Cl)Cl.
What is the InChIKey of [[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene?
The InChIKey is MJPWMOLTXBCZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2FN2O2S2/c1-13(7-5-3-2-4-6-7)17(14,15)12-16-8(9,10)11/h2-6,12H,1H3.
What are the key properties of [[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene?
[[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene has a molecular weight of 319.21 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[dichloro(fluoro)methyl]sulfanylsulfamoyl-methylamino]benzene is sourced from PubChem (CID 19024292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).