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

C22H24FN3O2S — CID 67653843

IUPAC3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide
SMILESCN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)cc(N(C)C)c1F
InChIInChI=1S/C22H24FN3O2S/c1-25(2)18-13-16(14-19(22(18)23)26(3)4)17-11-8-12-20(29(24,27)28)21(17)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,24,27,28)
InChIKeyHQINGBMEGRJQSH-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.94
Rot. Bonds5

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

3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide (PubChem CID 67653843) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide
PubChem CID67653843
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC Name3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide
SMILESCN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)cc(N(C)C)c1F
InChIInChI=1S/C22H24FN3O2S/c1-25(2)18-13-16(14-19(22(18)23)26(3)4)17-11-8-12-20(29(24,27)28)21(17)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,24,27,28)
InChIKeyHQINGBMEGRJQSH-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

Analyze 3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dansylamide
CID 65077
Monodansylcadaverine
CID 4247
Naphthalene-1-sulfonic acid isopropyl-[3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 46866711
5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide
CID 10408519
N-methyl-N-phenylnaphthalene-1-sulfonamide
CID 962575
5-(dimethylamino)-N,N-diethylnaphthalene-1-sulfonamide
CID 659824
5-(dimethylamino)-N-[(2R)-1-phenylpropan-2-yl]naphthalene-1-sulfonamide
CID 12583848
N-butyl-N-phenylnaphthalene-1-sulfonamide
CID 3864150
5-(dimethylamino)-N-[(Z)-(4-fluorophenyl)methylideneamino]naphthalene-1-sulfonamide
CID 44448946
Piperidine, 1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
CID 598926
1-(4-Fluorophenyl)-4-(naphthylsulfonyl)piperazine
CID 1239306
1-Propanaminium, 3-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-N,N,N-trimethyl-, iodide (1:1)
CID 10504796

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide?
The IUPAC name of 3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide (CID 67653843) is 3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide.
What is the SMILES notation for 3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide?
The canonical SMILES for 3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide is CN(C)c1cc(-c2cccc(S(N)(=O)=O)c2-c2ccccc2)cc(N(C)C)c1F.
What is the InChIKey of 3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide?
The InChIKey is HQINGBMEGRJQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-25(2)18-13-16(14-19(22(18)23)26(3)4)17-11-8-12-20(29(24,27)28)21(17)15-9-6-5-7-10-15/h5-14H,1-4H3,(H2,24,27,28).
What are the key properties of 3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide?
3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide 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 3-[3,5-bis(dimethylamino)-4-fluorophenyl]-2-phenylbenzenesulfonamide is sourced from PubChem (CID 67653843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).