2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide

C21H18FNO3S — CID 86225524

IUPAC2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide
SMILESNC(=O)c1ccccc1S(=O)(=O)c1ccc(CCc2ccccc2F)cc1
InChIInChI=1S/C21H18FNO3S/c22-19-7-3-1-5-16(19)12-9-15-10-13-17(14-11-15)27(25,26)20-8-4-2-6-18(20)21(23)24/h1-8,10-11,13-14H,9,12H2,(H2,23,24)
InChIKeyQTYNWNDVYAYWLN-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.54
Rot. Bonds6

About 2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide

2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide (PubChem CID 86225524) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide.

Molecular Properties

Compound Name2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide
PubChem CID86225524
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide
SMILESNC(=O)c1ccccc1S(=O)(=O)c1ccc(CCc2ccccc2F)cc1
InChIInChI=1S/C21H18FNO3S/c22-19-7-3-1-5-16(19)12-9-15-10-13-17(14-11-15)27(25,26)20-8-4-2-6-18(20)21(23)24/h1-8,10-11,13-14H,9,12H2,(H2,23,24)
InChIKeyQTYNWNDVYAYWLN-UHFFFAOYSA-N
XLogP3.54
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene
CID 21099422
2-[4-[2-(methylamino)ethoxy]phenyl]sulfonylbenzamide
CID 176879096
2-[4-[(E)-2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzamide
CID 21099433
2-[4-[2-(2,4-difluorophenyl)ethenyl]-3-methylphenyl]sulfonylbenzamide
CID 68532855
2-amino-3-(benzenesulfonyl)benzamide
CID 66736112
2-fluorobenzamide;dihydrochloride
CID 22563899
2-(trifluoromethylsulfonyl)benzamide
CID 91145939
2-[[amino-[4-[2-(2-fluorophenyl)ethyl]phenyl]methyl]amino]propanamide
CID 174275986
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid
CID 71602248

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide?
The IUPAC name of 2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide (CID 86225524) is 2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide.
What is the SMILES notation for 2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide?
The canonical SMILES for 2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide is NC(=O)c1ccccc1S(=O)(=O)c1ccc(CCc2ccccc2F)cc1.
What is the InChIKey of 2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide?
The InChIKey is QTYNWNDVYAYWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/c22-19-7-3-1-5-16(19)12-9-15-10-13-17(14-11-15)27(25,26)20-8-4-2-6-18(20)21(23)24/h1-8,10-11,13-14H,9,12H2,(H2,23,24).
What are the key properties of 2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide?
2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide has a molecular weight of 383.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-fluorophenyl)ethyl]phenyl]sulfonylbenzamide is sourced from PubChem (CID 86225524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).