4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide

C20H17F3N2O2S — CID 23451410

IUPAC4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide
SMILESCN(C)c1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C20H17F3N2O2S/c1-25(2)20-9-13(5-8-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)28(24,26)27/h3-11H,1-2H3,(H2,24,26,27)
InChIKeyHUYFFUJCGADBCZ-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.15
Rot. Bonds4

About 4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide

4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 23451410) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide
PubChem CID23451410
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC Name4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide
SMILESCN(C)c1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C20H17F3N2O2S/c1-25(2)20-9-13(5-8-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)28(24,26)27/h3-11H,1-2H3,(H2,24,26,27)
InChIKeyHUYFFUJCGADBCZ-UHFFFAOYSA-N
XLogP4.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide (CID 23451410) is 4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide is CN(C)c1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1F.
What is the InChIKey of 4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is HUYFFUJCGADBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c1-25(2)20-9-13(5-8-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)28(24,26)27/h3-11H,1-2H3,(H2,24,26,27).
What are the key properties of 4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide?
4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 406.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(dimethylamino)-4-fluorophenyl]-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 23451410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).