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

C22H24FN3O2S — CID 23451025

IUPAC4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide
SMILESCN(C)c1cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1F
InChIInChI=1S/C22H24FN3O2S/c1-25(2)20-13-16(14-21(22(20)23)26(3)4)19-8-6-5-7-18(19)15-9-11-17(12-10-15)29(24,27)28/h5-14H,1-4H3,(H2,24,27,28)
InChIKeyDVSCBQUMTOUJNG-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.94
Rot. Bonds5

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

4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide (PubChem CID 23451025) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide
PubChem CID23451025
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC Name4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide
SMILESCN(C)c1cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1F
InChIInChI=1S/C22H24FN3O2S/c1-25(2)20-13-16(14-21(22(20)23)26(3)4)19-8-6-5-7-18(19)15-9-11-17(12-10-15)29(24,27)28/h5-14H,1-4H3,(H2,24,27,28)
InChIKeyDVSCBQUMTOUJNG-UHFFFAOYSA-N
XLogP3.94
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide (CID 23451025) is 4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide is CN(C)c1cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1F.
What is the InChIKey of 4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide?
The InChIKey is DVSCBQUMTOUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-25(2)20-13-16(14-21(22(20)23)26(3)4)19-8-6-5-7-18(19)15-9-11-17(12-10-15)29(24,27)28/h5-14H,1-4H3,(H2,24,27,28).
What are the key properties of 4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide?
4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide has a molecular weight of 413.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 23451025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).