5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride

C13H7F3O5S2 — CID 87194991

IUPAC5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride
SMILESO=C(c1ccc(F)cc1)c1cc(S(=O)(=O)F)cc(S(=O)(=O)F)c1
InChIInChI=1S/C13H7F3O5S2/c14-10-3-1-8(2-4-10)13(17)9-5-11(22(15,18)19)7-12(6-9)23(16,20)21/h1-7H
InChIKeyKYRJOVPUYZEHLF-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.37
Rot. Bonds4

About 5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride

5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride (PubChem CID 87194991) has the molecular formula C13H7F3O5S2 and a molecular weight of 364.32 g/mol. Its IUPAC name is 5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride.

Molecular Properties

Compound Name5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride
PubChem CID87194991
Molecular FormulaC13H7F3O5S2
Molecular Weight364.32 g/mol
Exact Mass363.97
IUPAC Name5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride
SMILESO=C(c1ccc(F)cc1)c1cc(S(=O)(=O)F)cc(S(=O)(=O)F)c1
InChIInChI=1S/C13H7F3O5S2/c14-10-3-1-8(2-4-10)13(17)9-5-11(22(15,18)19)7-12(6-9)23(16,20)21/h1-7H
InChIKeyKYRJOVPUYZEHLF-UHFFFAOYSA-N
XLogP2.37
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride?
The IUPAC name of 5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride (CID 87194991) is 5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride.
What is the SMILES notation for 5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride?
The canonical SMILES for 5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride is O=C(c1ccc(F)cc1)c1cc(S(=O)(=O)F)cc(S(=O)(=O)F)c1.
What is the InChIKey of 5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride?
The InChIKey is KYRJOVPUYZEHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O5S2/c14-10-3-1-8(2-4-10)13(17)9-5-11(22(15,18)19)7-12(6-9)23(16,20)21/h1-7H.
What are the key properties of 5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride?
5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride has a molecular weight of 364.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorobenzoyl)benzene-1,3-disulfonyl fluoride is sourced from PubChem (CID 87194991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).