N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride

C9H14F7N3O6S3 — CID 89484298

IUPACN-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride
SMILESCN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(C)S(=O)(=O)F)CC1
InChIInChI=1S/C9H14F7N3O6S3/c1-17-3-5-19(6-4-17)27(22,23)9(14,15)7(10,11)8(12,13)26(20,21)18(2)28(16,24)25/h3-6H2,1-2H3
InChIKeyRXAMECZNNUBXQJ-UHFFFAOYSA-N
MW489.41 g/mol
LogP-0.14
Rot. Bonds7

About N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride

N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride (PubChem CID 89484298) has the molecular formula C9H14F7N3O6S3 and a molecular weight of 489.41 g/mol. Its IUPAC name is N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride.

Molecular Properties

Compound NameN-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride
PubChem CID89484298
Molecular FormulaC9H14F7N3O6S3
Molecular Weight489.41 g/mol
Exact Mass488.99
IUPAC NameN-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride
SMILESCN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(C)S(=O)(=O)F)CC1
InChIInChI=1S/C9H14F7N3O6S3/c1-17-3-5-19(6-4-17)27(22,23)9(14,15)7(10,11)8(12,13)26(20,21)18(2)28(16,24)25/h3-6H2,1-2H3
InChIKeyRXAMECZNNUBXQJ-UHFFFAOYSA-N
XLogP-0.14
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.41
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride 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 N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride?
The IUPAC name of N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride (CID 89484298) is N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride.
What is the SMILES notation for N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride?
The canonical SMILES for N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride is CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(C)S(=O)(=O)F)CC1.
What is the InChIKey of N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride?
The InChIKey is RXAMECZNNUBXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F7N3O6S3/c1-17-3-5-19(6-4-17)27(22,23)9(14,15)7(10,11)8(12,13)26(20,21)18(2)28(16,24)25/h3-6H2,1-2H3.
What are the key properties of N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride?
N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride has a molecular weight of 489.41 g/mol, XLogP of -0.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride is sourced from PubChem (CID 89484298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).