4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide

C9H8F3NO5S2 — CID 162571871

IUPAC4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)N(O)S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO5S2/c1-2-7-3-5-8(6-4-7)19(15,16)13(14)20(17,18)9(10,11)12/h2-6,14H,1H2
InChIKeyUPAOEHCWMSCUBM-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.56
Rot. Bonds4

About 4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide

4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide (PubChem CID 162571871) has the molecular formula C9H8F3NO5S2 and a molecular weight of 331.29 g/mol. Its IUPAC name is 4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
PubChem CID162571871
Molecular FormulaC9H8F3NO5S2
Molecular Weight331.29 g/mol
Exact Mass330.98
IUPAC Name4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)N(O)S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO5S2/c1-2-7-3-5-8(6-4-7)19(15,16)13(14)20(17,18)9(10,11)12/h2-6,14H,1H2
InChIKeyUPAOEHCWMSCUBM-UHFFFAOYSA-N
XLogP1.56
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide?
The IUPAC name of 4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide (CID 162571871) is 4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide?
The canonical SMILES for 4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide is C=Cc1ccc(S(=O)(=O)N(O)S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide?
The InChIKey is UPAOEHCWMSCUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO5S2/c1-2-7-3-5-8(6-4-7)19(15,16)13(14)20(17,18)9(10,11)12/h2-6,14H,1H2.
What are the key properties of 4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide?
4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide has a molecular weight of 331.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 162571871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).