4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide

C12H7F4NO4S2 — CID 71584326

IUPAC4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)c2ccccc2)c(F)c1F
InChIInChI=1S/C12H7F4NO4S2/c13-7-9(15)12(23(17,20)21)10(16)8(14)11(7)22(18,19)6-4-2-1-3-5-6/h1-5H,(H2,17,20,21)
InChIKeyFBNVGSUZKKTWEQ-UHFFFAOYSA-N
MW369.32 g/mol
LogP1.72
Rot. Bonds3

About 4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide

4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide (PubChem CID 71584326) has the molecular formula C12H7F4NO4S2 and a molecular weight of 369.32 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide
PubChem CID71584326
Molecular FormulaC12H7F4NO4S2
Molecular Weight369.32 g/mol
Exact Mass368.98
IUPAC Name4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)c2ccccc2)c(F)c1F
InChIInChI=1S/C12H7F4NO4S2/c13-7-9(15)12(23(17,20)21)10(16)8(14)11(7)22(18,19)6-4-2-1-3-5-6/h1-5H,(H2,17,20,21)
InChIKeyFBNVGSUZKKTWEQ-UHFFFAOYSA-N
XLogP1.72
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide?
The IUPAC name of 4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide (CID 71584326) is 4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide is NS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)c2ccccc2)c(F)c1F.
What is the InChIKey of 4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide?
The InChIKey is FBNVGSUZKKTWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO4S2/c13-7-9(15)12(23(17,20)21)10(16)8(14)11(7)22(18,19)6-4-2-1-3-5-6/h1-5H,(H2,17,20,21).
What are the key properties of 4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide?
4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide has a molecular weight of 369.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2,3,5,6-tetrafluorobenzenesulfonamide is sourced from PubChem (CID 71584326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).