4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide

C18H12F3NO2S — CID 10316629

IUPAC4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12F3NO2S/c19-13-5-1-11(2-6-13)15-9-17(20)18(21)10-16(15)12-3-7-14(8-4-12)25(22,23)24/h1-10H,(H2,22,23,24)
InChIKeyHMKMEDJAHJBTLO-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.09
Rot. Bonds3

About 4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide

4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide (PubChem CID 10316629) has the molecular formula C18H12F3NO2S and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide
PubChem CID10316629
Molecular FormulaC18H12F3NO2S
Molecular Weight363.36 g/mol
Exact Mass363.05
IUPAC Name4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H12F3NO2S/c19-13-5-1-11(2-6-13)15-9-17(20)18(21)10-16(15)12-3-7-14(8-4-12)25(22,23)24/h1-10H,(H2,22,23,24)
InChIKeyHMKMEDJAHJBTLO-UHFFFAOYSA-N
XLogP4.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide (CID 10316629) is 4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide?
The InChIKey is HMKMEDJAHJBTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2S/c19-13-5-1-11(2-6-13)15-9-17(20)18(21)10-16(15)12-3-7-14(8-4-12)25(22,23)24/h1-10H,(H2,22,23,24).
What are the key properties of 4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide?
4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide has a molecular weight of 363.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-difluoro-2-(4-fluorophenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10316629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).