4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene

C13H8F2O9S2 — CID 170838858

IUPAC4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene
SMILESO=C(c1ccc(OS(=O)(=O)F)cc1O)c1ccc(OS(=O)(=O)F)cc1O
InChIInChI=1S/C13H8F2O9S2/c14-25(19,20)23-7-1-3-9(11(16)5-7)13(18)10-4-2-8(6-12(10)17)24-26(15,21)22/h1-6,16-17H
InChIKeyUTCXTSTXXDQRER-UHFFFAOYSA-N
MW410.33 g/mol
LogP1.51
Rot. Bonds6

About 4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene

4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene (PubChem CID 170838858) has the molecular formula C13H8F2O9S2 and a molecular weight of 410.33 g/mol. Its IUPAC name is 4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene.

Molecular Properties

Compound Name4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene
PubChem CID170838858
Molecular FormulaC13H8F2O9S2
Molecular Weight410.33 g/mol
Exact Mass409.96
IUPAC Name4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene
SMILESO=C(c1ccc(OS(=O)(=O)F)cc1O)c1ccc(OS(=O)(=O)F)cc1O
InChIInChI=1S/C13H8F2O9S2/c14-25(19,20)23-7-1-3-9(11(16)5-7)13(18)10-4-2-8(6-12(10)17)24-26(15,21)22/h1-6,16-17H
InChIKeyUTCXTSTXXDQRER-UHFFFAOYSA-N
XLogP1.51
TPSA144.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(fluorosulfonyloxy)benzene
CID 118561819
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
2-hydroxy-3-(2-hydroxy-4-methoxybenzoyl)-6-methoxybenzenesulfonic acid
CID 23208531
sodium 4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonate
CID 23678865
disodium;hydride;4-hydroxy-5-(2-hydroxy-4-methoxybenzoyl)-2-methoxybenzenesulfonic acid
CID 173197919
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyloxy)-2-hydroxybenzoic acid
CID 71392583
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
methyl 2-hydroxy-4-sulfooxybenzoate
CID 102439908
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
4-(2-hydroxy-4-methoxybenzoyl)benzenesulfonic acid
CID 101277642
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735

Frequently Asked Questions

What is the IUPAC name of 4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene?
The IUPAC name of 4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene (CID 170838858) is 4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene.
What is the SMILES notation for 4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene?
The canonical SMILES for 4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene is O=C(c1ccc(OS(=O)(=O)F)cc1O)c1ccc(OS(=O)(=O)F)cc1O.
What is the InChIKey of 4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene?
The InChIKey is UTCXTSTXXDQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O9S2/c14-25(19,20)23-7-1-3-9(11(16)5-7)13(18)10-4-2-8(6-12(10)17)24-26(15,21)22/h1-6,16-17H.
What are the key properties of 4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene?
4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene has a molecular weight of 410.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorosulfonyloxy-1-(4-fluorosulfonyloxy-2-hydroxybenzoyl)-2-hydroxybenzene is sourced from PubChem (CID 170838858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).