2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide

C24H16F2N2O4S3 — CID 10414652

IUPAC2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc2sc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3c2c1
InChIInChI=1S/C24H16F2N2O4S3/c25-15-1-5-17(6-2-15)27-34(29,30)19-9-11-23-21(13-19)22-14-20(10-12-24(22)33-23)35(31,32)28-18-7-3-16(26)4-8-18/h1-14,27-28H
InChIKeyWNBURVGOJRYJHJ-UHFFFAOYSA-N
MW530.60 g/mol
LogP5.93
Rot. Bonds6

About 2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide

2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide (PubChem CID 10414652) has the molecular formula C24H16F2N2O4S3 and a molecular weight of 530.60 g/mol. Its IUPAC name is 2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide.

Molecular Properties

Compound Name2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide
PubChem CID10414652
Molecular FormulaC24H16F2N2O4S3
Molecular Weight530.60 g/mol
Exact Mass530.02
IUPAC Name2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc2sc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3c2c1
InChIInChI=1S/C24H16F2N2O4S3/c25-15-1-5-17(6-2-15)27-34(29,30)19-9-11-23-21(13-19)22-14-20(10-12-24(22)33-23)35(31,32)28-18-7-3-16(26)4-8-18/h1-14,27-28H
InChIKeyWNBURVGOJRYJHJ-UHFFFAOYSA-N
XLogP5.93
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.60
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide
CID 86814929
4-fluoro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CID 697338
(4-fluorophenyl)-[7-[(4-fluorophenyl)sulfamoyl]-9-oxofluoren-2-yl]sulfonylazanide
CID 4747369
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
N-(4-fluorophenyl)-2-oxoindole-5-sulfonamide
CID 141299285
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
CID 46331701

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide?
The IUPAC name of 2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide (CID 10414652) is 2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide.
What is the SMILES notation for 2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide?
The canonical SMILES for 2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc2sc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3c2c1.
What is the InChIKey of 2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide?
The InChIKey is WNBURVGOJRYJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2O4S3/c25-15-1-5-17(6-2-15)27-34(29,30)19-9-11-23-21(13-19)22-14-20(10-12-24(22)33-23)35(31,32)28-18-7-3-16(26)4-8-18/h1-14,27-28H.
What are the key properties of 2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide?
2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide has a molecular weight of 530.60 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(4-fluorophenyl)dibenzothiophene-2,8-disulfonamide is sourced from PubChem (CID 10414652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).