4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride

C9H8ClF4NO4S2 — CID 106292510

IUPAC4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(S(=O)(=O)NCC(F)(F)C(F)F)cc1
InChIInChI=1S/C9H8ClF4NO4S2/c10-20(16,17)6-1-3-7(4-2-6)21(18,19)15-5-9(13,14)8(11)12/h1-4,8,15H,5H2
InChIKeyOWUQKAHBIHJWPI-UHFFFAOYSA-N
MW369.75 g/mol
LogP1.79
Rot. Bonds6

About 4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride

4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride (PubChem CID 106292510) has the molecular formula C9H8ClF4NO4S2 and a molecular weight of 369.75 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride
PubChem CID106292510
Molecular FormulaC9H8ClF4NO4S2
Molecular Weight369.75 g/mol
Exact Mass368.95
IUPAC Name4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(S(=O)(=O)NCC(F)(F)C(F)F)cc1
InChIInChI=1S/C9H8ClF4NO4S2/c10-20(16,17)6-1-3-7(4-2-6)21(18,19)15-5-9(13,14)8(11)12/h1-4,8,15H,5H2
InChIKeyOWUQKAHBIHJWPI-UHFFFAOYSA-N
XLogP1.79
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.75
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
CID 43096777
4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 103577915
4-(ethylaminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106294662
3-(2,2,3,3-tetrafluoropropylsulfamoyl)benzoic acid
CID 106290548
5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
CID 106295502
5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293639
5-formyl-N-(2,2,3,3-tetrafluoropropyl)furan-2-sulfonamide
CID 106295742
4-(2,3,3-trimethylbutylsulfamoyl)benzenesulfonyl chloride
CID 83142937
4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293636
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride (CID 106292510) is 4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(S(=O)(=O)NCC(F)(F)C(F)F)cc1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is OWUQKAHBIHJWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF4NO4S2/c10-20(16,17)6-1-3-7(4-2-6)21(18,19)15-5-9(13,14)8(11)12/h1-4,8,15H,5H2.
What are the key properties of 4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride?
4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 369.75 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 106292510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).