3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide

C20H19FN2O2S — CID 67653870

IUPAC3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide
SMILESCN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)ccc1F
InChIInChI=1S/C20H19FN2O2S/c1-23(2)18-13-15(11-12-17(18)21)16-9-6-10-19(26(22,24)25)20(16)14-7-4-3-5-8-14/h3-13H,1-2H3,(H2,22,24,25)
InChIKeyASRSDYROKGQPKJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.87
Rot. Bonds4

About 3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide

3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide (PubChem CID 67653870) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide
PubChem CID67653870
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide
SMILESCN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)ccc1F
InChIInChI=1S/C20H19FN2O2S/c1-23(2)18-13-15(11-12-17(18)21)16-9-6-10-19(26(22,24)25)20(16)14-7-4-3-5-8-14/h3-13H,1-2H3,(H2,22,24,25)
InChIKeyASRSDYROKGQPKJ-UHFFFAOYSA-N
XLogP3.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide?
The IUPAC name of 3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide (CID 67653870) is 3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide.
What is the SMILES notation for 3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide?
The canonical SMILES for 3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide is CN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)ccc1F.
What is the InChIKey of 3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide?
The InChIKey is ASRSDYROKGQPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-23(2)18-13-15(11-12-17(18)21)16-9-6-10-19(26(22,24)25)20(16)14-7-4-3-5-8-14/h3-13H,1-2H3,(H2,22,24,25).
What are the key properties of 3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide?
3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide has a molecular weight of 370.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide is sourced from PubChem (CID 67653870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).