2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine

C14H10F4N2O4S — CID 11280370

IUPAC2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine
SMILESNS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1
InChIInChI=1S/C14H10F4N2O4S/c15-13(16)14(17,18)24-12-7-9(3-6-11(12)23-13)8-1-4-10(5-2-8)20-25(19,21)22/h1-7,20H,(H2,19,21,22)
InChIKeyNPKDGTGKGPCJNS-UHFFFAOYSA-N
MW378.30 g/mol
LogP2.93
Rot. Bonds3

About 2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine

2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine (PubChem CID 11280370) has the molecular formula C14H10F4N2O4S and a molecular weight of 378.30 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine
PubChem CID11280370
Molecular FormulaC14H10F4N2O4S
Molecular Weight378.30 g/mol
Exact Mass378.03
IUPAC Name2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine
SMILESNS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1
InChIInChI=1S/C14H10F4N2O4S/c15-13(16)14(17,18)24-12-7-9(3-6-11(12)23-13)8-1-4-10(5-2-8)20-25(19,21)22/h1-7,20H,(H2,19,21,22)
InChIKeyNPKDGTGKGPCJNS-UHFFFAOYSA-N
XLogP2.93
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine?
The IUPAC name of 2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine (CID 11280370) is 2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine?
The canonical SMILES for 2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine is NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1.
What is the InChIKey of 2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine?
The InChIKey is NPKDGTGKGPCJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O4S/c15-13(16)14(17,18)24-12-7-9(3-6-11(12)23-13)8-1-4-10(5-2-8)20-25(19,21)22/h1-7,20H,(H2,19,21,22).
What are the key properties of 2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine?
2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine has a molecular weight of 378.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-6-[4-(sulfamoylamino)phenyl]-1,4-benzodioxine is sourced from PubChem (CID 11280370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).