4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride

C8H7ClF3NO4S2 — CID 43096777

IUPAC4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C8H7ClF3NO4S2/c9-18(14,15)6-1-3-7(4-2-6)19(16,17)13-5-8(10,11)12/h1-4,13H,5H2
InChIKeyLEPFENCWGMWGBO-UHFFFAOYSA-N
MW337.73 g/mol
LogP1.45
Rot. Bonds4

About 4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride

4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride (PubChem CID 43096777) has the molecular formula C8H7ClF3NO4S2 and a molecular weight of 337.73 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
PubChem CID43096777
Molecular FormulaC8H7ClF3NO4S2
Molecular Weight337.73 g/mol
Exact Mass336.95
IUPAC Name4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C8H7ClF3NO4S2/c9-18(14,15)6-1-3-7(4-2-6)19(16,17)13-5-8(10,11)12/h1-4,13H,5H2
InChIKeyLEPFENCWGMWGBO-UHFFFAOYSA-N
XLogP1.45
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride
CID 106292510
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745
2-chloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267887
4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60821922
2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267865
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267871

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride (CID 43096777) is 4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is LEPFENCWGMWGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO4S2/c9-18(14,15)6-1-3-7(4-2-6)19(16,17)13-5-8(10,11)12/h1-4,13H,5H2.
What are the key properties of 4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride?
4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 337.73 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 43096777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).