4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide

C12H9F6NO2S2 — CID 86814929

IUPAC4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C12H9F6NO2S2/c13-9-1-5-11(6-2-9)22(20,21)19-10-3-7-12(8-4-10)23(14,15,16,17)18/h1-8,19H
InChIKeyUHUZDZPOQAFMEL-UHFFFAOYSA-N
MW377.33 g/mol
LogP5.28
Rot. Bonds4

About 4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide

4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide (PubChem CID 86814929) has the molecular formula C12H9F6NO2S2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide
PubChem CID86814929
Molecular FormulaC12H9F6NO2S2
Molecular Weight377.33 g/mol
Exact Mass377.00
IUPAC Name4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C12H9F6NO2S2/c13-9-1-5-11(6-2-9)22(20,21)19-10-3-7-12(8-4-10)23(14,15,16,17)18/h1-8,19H
InChIKeyUHUZDZPOQAFMEL-UHFFFAOYSA-N
XLogP5.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.33
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
CID 1472868
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
4-fluoro-N-[4-(2,3,4-trifluoroanilino)phenyl]benzenesulfonamide
CID 112990183
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide (CID 86814929) is 4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide?
The InChIKey is UHUZDZPOQAFMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6NO2S2/c13-9-1-5-11(6-2-9)22(20,21)19-10-3-7-12(8-4-10)23(14,15,16,17)18/h1-8,19H.
What are the key properties of 4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide?
4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide has a molecular weight of 377.33 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 86814929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).